[1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-[(4-phenylthiazol-2-yl)carbamoyl]propyl 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid [1-oxo-1-[(4-phenyl-2-thiazolyl)amino]butan-2-yl] ester IUPAC Name: [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid 1-[(4-phenylthiazol-2-yl)carbamoyl]propyl ester Formula: C31H27N3O4S MolecularWeight: 537.62878

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=C(C=C5)C

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=C(C=C5)C

InChI

InChI=1S/C31H27N3O4S/c1-4-25(28(35)33-31-32-24(18-39-31)20-10-6-5-7-11-20)38-30(37)27-26(21-16-14-19(2)15-17-21)22-12-8-9-13-23(22)29(36)34(27)3/h5-18,25H,4H2,1-3H3,(H,32,33,35)