2-(({(2-(3,4-Dimethoxyphenyl)ethyl)carbamoyl}methyl)sulfanyl)benzoic acid

cas: 850021-36-2 — see every product listed under this CAS number, including other names

2-(({(2-(3,4-Dimethoxyphenyl)ethyl)carbamoyl}methyl)sulfanyl)benzoic acid (CAS 850021-36-2) is a chemical reagent available from Chemat. Available pack sizes: 0,5g, 5g. Offered by: Biosynth.

• 2D
• 3D

2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylbenzoic acid (CAS 850021-36-2) is a chemical compound with the molecular formula C19H21NO5S and a molecular weight of 375.4 g/mol. IUPAC name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylbenzoic acid. InChIKey: BIIHWIBFBGHQMU-UHFFFAOYSA-N.

Identity

Molecular formula	C19H21NO5S
Molecular weight	375.4 g/mol
IUPAC name	2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylbenzoic acid
InChIKey	BIIHWIBFBGHQMU-UHFFFAOYSA-N
SMILES	COC1=C(C=C(C=C1)CCNC(=O)CSC2=CC=CC=C2C(=O)O)OC

Computed by PubChem (NCBI)

Synonyms: 2-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]benzoic acid, 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylbenzoic acid, 2-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]benzoicacid, 2-[(2-([2-(3,4-Dimethoxyphenyl)ethyl]amino)-2-oxoethyl)thio]benzoic acid, 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanylbenzoic acid

Isomers (same molecular formula)

3-[7-(2,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-hydroxy-6-methylpyran-2-one C₁₉H₂₁NO₅S

4-(benzenesulfonyl)-6-tert-butyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid C₁₉H₂₁NO₅S

(2R)-3-[(4-methoxyphenyl)methylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid C₁₉H₂₁NO₅S

ethyl 2-[3,5-diformyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate C₁₉H₂₁NO₅S

benzyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate C₁₉H₂₁NO₅S

benzyl (3R)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate C₁₉H₂₁NO₅S

benzyl 3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate C₁₉H₂₁NO₅S

1-(2-methoxyphenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid C₁₉H₂₁NO₅S

tert-butyl (4R,5S)-2,2-dioxo-4,5-diphenyloxathiazolidine-3-carboxylate C₁₉H₂₁NO₅S

2-[(2R,4aR,5S,6R,7aS)-6-hydroxy-5-(phenoxymethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylic acid C₁₉H₂₁NO₅S