Products 3009090-13-2

CAS 3009090-13-2 is the registry number for Anticancer agent 106. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

Ethyl 2-[(5E)-3-cyano-4-hydroxy-2-imino-5-[2-(4-methylphenyl)-2-oxoethylidene]pyrrol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 3009090-13-2) is a chemical compound with the molecular formula C26H25N3O4S and a molecular weight of 475.6 g/mol. IUPAC name: ethyl 2-[(5E)-3-cyano-4-hydroxy-2-imino-5-[2-(4-methylphenyl)-2-oxoethylidene]pyrrol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate. InChIKey: NGVSDLBWYYOXAO-LBOPPBIISA-N.

Identity
Molecular formulaC26H25N3O4S
Molecular weight475.6 g/mol
IUPAC nameethyl 2-[(5E)-3-cyano-4-hydroxy-2-imino-5-[2-(4-methylphenyl)-2-oxoethylidene]pyrrol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
InChIKeyNGVSDLBWYYOXAO-LBOPPBIISA-N
SMILESCCOC(=O)C1=C(SC2=C1CCCCC2)N3/C(=C/C(=O)C4=CC=C(C=C4)C)/C(=C(C3=N)C#N)O

Computed by PubChem (NCBI)