[2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: [2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-(3-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(2-methyl-4-thiazolyl)methylthio]benzoic acid [2-[3-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(2-methylthiazol-4-yl)methylthio]benzoic acid [2-keto-2-(3-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C25H27N3O3S2 MolecularWeight: 481.63018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC3=CSC(=N3)C)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC3=CSC(=N3)C)N4CCCC4

InChI

InChI=1S/C25H27N3O3S2/c1-17-13-19(9-10-22(17)28-11-5-6-12-28)27-24(29)14-31-25(30)21-7-3-4-8-23(21)33-16-20-15-32-18(2)26-20/h3-4,7-10,13,15H,5-6,11-12,14,16H2,1-2H3,(H,27,29)