[2-oxidanylidene-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-oxo-2-[[4-(2,4,6-trimethylphenyl)thiazol-2-yl]amino]ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-oxo-2-[[4-(2,4,6-trimethylphenyl)-2-thiazolyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-keto-2-[(4-mesitylthiazol-2-yl)amino]ethyl] ester Formula: C25H23N3O3S MolecularWeight: 445.53342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=CSC(=N2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=CSC(=N2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C)C

InChI

InChI=1S/C25H23N3O3S/c1-14-9-15(2)23(16(3)10-14)21-13-32-25(27-21)28-22(29)12-31-24(30)19-11-17(4)26-20-8-6-5-7-18(19)20/h5-11,13H,12H2,1-4H3,(H,27,28,29)