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

Systemtic Name: [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [1-methyl-2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl] 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid [1-[(4-methyl-2-thiazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-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-[(4-methylthiazol-2-yl)amino]ethyl] ester Formula: C25H23N3O4S MolecularWeight: 461.53282

Click to see the large picture

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)C

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)C

InChI

InChI=1S/C25H23N3O4S/c1-14-9-11-17(12-10-14)20-18-7-5-6-8-19(18)23(30)28(4)21(20)24(31)32-16(3)22(29)27-25-26-15(2)13-33-25/h5-13,16H,1-4H3,(H,26,27,29)