ethyl 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-phenylsulfanyl-propanoate

Systemtic Name: ethyl 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-phenylsulfanyl-propanoate Openeye Name: ethyl 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-phenylsulfanyl-propanoate CAS Name: 3-[4-methoxy-3-[oxo-[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]-2-(phenylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-phenylsulfanylpropanoate Traditional Name: 3-[4-methoxy-3-[[4-(trifluoromethyl)benzyl]carbamoyl]phenyl]-2-(phenylthio)propionic acid ethyl ester Formula: C27H26F3NO4S MolecularWeight: 517.55985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C=C1)OC)C(=O)NCC2=CC=C(C=C2)C(F)(F)F)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C=C1)OC)C(=O)NCC2=CC=C(C=C2)C(F)(F)F)SC3=CC=CC=C3

InChI

InChI=1S/C27H26F3NO4S/c1-3-35-26(33)24(36-21-7-5-4-6-8-21)16-19-11-14-23(34-2)22(15-19)25(32)31-17-18-9-12-20(13-10-18)27(28,29)30/h4-15,24H,3,16-17H2,1-2H3,(H,31,32)