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

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 4-oxo-1H-quinoline-2-carboxylate CAS Name: 4-oxo-1H-quinoline-2-carboxylic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 4-oxo-1H-quinoline-2-carboxylate Traditional Name: 4-keto-1H-quinoline-2-carboxylic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H17N3O3S/c1-13-6-8-14(9-7-13)22-21-23-15(12-28-21)11-27-20(26)18-10-19(25)16-4-2-3-5-17(16)24-18/h2-10,12H,11H2,1H3,(H,22,23)(H,24,25)