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

Systemtic Name: [2-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [2-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl] 4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-methyl-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] 4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid [2-[(5-carbethoxy-3-cyano-4-methyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C28H22ClN3O6S MolecularWeight: 564.00878

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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)Cl)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)Cl)C#N)C

InChI

InChI=1S/C28H22ClN3O6S/c1-4-37-28(36)24-15(2)20(13-30)25(39-24)31-21(33)14-38-27(35)23-22(16-9-11-17(29)12-10-16)18-7-5-6-8-19(18)26(34)32(23)3/h5-12H,4,14H2,1-3H3,(H,31,33)