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

Systemtic Name: [1-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)carbamoyl]propyl 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [1-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-cyano-5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-1-oxobutan-2-yl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid 1-[(5-carbethoxy-3-cyano-4-methyl-2-thienyl)carbamoyl]propyl ester Formula: C30H27N3O6S MolecularWeight: 557.61688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=CC=C4

InChI

InChI=1S/C30H27N3O6S/c1-5-22(26(34)32-27-21(16-31)17(3)25(40-27)30(37)38-6-2)39-29(36)24-23(18-12-8-7-9-13-18)19-14-10-11-15-20(19)28(35)33(24)4/h7-15,22H,5-6H2,1-4H3,(H,32,34)