[2-[(2,4-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: [2-[(2,4-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [2-(N-acetyl-2,4-dimethyl-anilino)thiazol-4-yl]methyl 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [2-(N-acetyl-2,4-dimethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [2-(N-acetyl-2,4-dimethyl-anilino)thiazol-4-yl]methyl ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=CC(=O)NC4=CC=CC=C43)C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=CC(=O)NC4=CC=CC=C43)C(=O)C)C

InChI

InChI=1S/C24H21N3O4S/c1-14-8-9-21(15(2)10-14)27(16(3)28)24-25-17(13-32-24)12-31-23(30)19-11-22(29)26-20-7-5-4-6-18(19)20/h4-11,13H,12H2,1-3H3,(H,26,29)