(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C24H19NO4S MolecularWeight: 417.47696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OCC(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OCC(=O)C4=CC=CS4

InChI

InChI=1S/C24H19NO4S/c1-15-9-11-16(12-10-15)21-17-6-3-4-7-18(17)23(27)25(2)22(21)24(28)29-14-19(26)20-8-5-13-30-20/h3-13H,14H2,1-2H3