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

Systemtic Name: [2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1,3-thiazol-4-yl]methyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[2-(benzylamino)-2-oxo-ethyl]thiazol-4-yl]methyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-[2-oxo-2-[(phenylmethyl)amino]ethyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-[2-(benzylamino)-2-keto-ethyl]thiazol-4-yl]methyl ester Formula: C26H25N3O3S MolecularWeight: 459.56

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=CSC(=N3)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=CSC(=N3)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O3S/c1-3-21-17(2)25(20-11-7-8-12-22(20)29-21)26(31)32-15-19-16-33-24(28-19)13-23(30)27-14-18-9-5-4-6-10-18/h4-12,16H,3,13-15H2,1-2H3,(H,27,30)