ethyl 4-[2-[6-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[6-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[6-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[6-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[6-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-[4-(4-chlorobenzyl)oxyphenyl]-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C31H23ClF3N3O4S MolecularWeight: 626.04523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C(F)(F)F)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C(F)(F)F)C#N

InChI

InChI=1S/C31H23ClF3N3O4S/c1-2-41-30(40)21-5-11-23(12-6-21)37-28(39)18-43-29-25(16-36)26(31(33,34)35)15-27(38-29)20-7-13-24(14-8-20)42-17-19-3-9-22(32)10-4-19/h3-15H,2,17-18H2,1H3,(H,37,39)