[2-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [2-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [2-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl] 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid [2-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl] 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid [2-[(5-carbethoxy-3-cyano-4-methyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C29H25N3O6S MolecularWeight: 543.5903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)C)C#N)C

InChI

InChI=1S/C29H25N3O6S/c1-5-37-29(36)25-17(3)21(14-30)26(39-25)31-22(33)15-38-28(35)24-23(18-12-10-16(2)11-13-18)19-8-6-7-9-20(19)27(34)32(24)4/h6-13H,5,15H2,1-4H3,(H,31,33)