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

Systemtic Name: methyl 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-methylsulfinyl-propanoate Openeye Name: methyl 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-methylsulfinyl-propanoate CAS Name: 3-[4-methoxy-3-[oxo-[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]-2-methylsulfinylpropanoic acid methyl ester IUPAC Name: methyl 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-methylsulfinylpropanoate Traditional Name: 3-[4-methoxy-3-[[4-(trifluoromethyl)benzyl]carbamoyl]phenyl]-2-methylsulfinyl-propionic acid methyl ester Formula: C21H22F3NO5S MolecularWeight: 457.46329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22F3NO5S/c1-29-17-9-6-14(11-18(31(3)28)20(27)30-2)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)