[1-oxidanylidene-1-(1,3-thiazol-2-ylamino)propan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-(1,3-thiazol-2-ylamino)propan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [1-methyl-2-oxo-2-(thiazol-2-ylamino)ethyl] 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-(2-thiazolylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid [2-keto-1-methyl-2-(thiazol-2-ylamino)ethyl] ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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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)OC(C)C(=O)NC4=NC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OC(C)C(=O)NC4=NC=CS4

InChI

InChI=1S/C24H21N3O4S/c1-14-8-10-16(11-9-14)19-17-6-4-5-7-18(17)22(29)27(3)20(19)23(30)31-15(2)21(28)26-24-25-12-13-32-24/h4-13,15H,1-3H3,(H,25,26,28)