methyl 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-methylsulfanyl-propanoate

Systemtic Name: methyl 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-methylsulfanyl-propanoate Openeye Name: methyl 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-methylsulfanyl-propanoate CAS Name: 3-[4-methoxy-3-[oxo-[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]-2-(methylthio)propanoic acid methyl ester IUPAC Name: methyl 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-methylsulfanylpropanoate Traditional Name: 3-[4-methoxy-3-[[4-(trifluoromethyl)benzyl]carbamoyl]phenyl]-2-(methylthio)propionic acid methyl ester Formula: C21H22F3NO4S MolecularWeight: 441.46389

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C(=O)OC)SC)C(=O)NCC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)CC(C(=O)OC)SC)C(=O)NCC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C21H22F3NO4S/c1-28-17-9-6-14(11-18(30-3)20(27)29-2)10-16(17)19(26)25-12-13-4-7-15(8-5-13)21(22,23)24/h4-10,18H,11-12H2,1-3H3,(H,25,26)