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

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C21H17N3O2S MolecularWeight: 375.44358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H17N3O2S/c1-14-6-9-16(10-7-14)22-21-23-17(13-27-21)12-26-20(25)19-11-8-15-4-2-3-5-18(15)24-19/h2-11,13H,12H2,1H3,(H,22,23)