[2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenyl-ethyl] 2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-keto-1-phenyl-ethyl] ester Formula: C27H23Cl2F3N2O4S MolecularWeight: 599.44873

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CSCCC(C(=O)OC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C27H23Cl2F3N2O4S/c1-39-14-13-22(34-24(35)17-7-9-18(28)10-8-17)26(37)38-23(16-5-3-2-4-6-16)25(36)33-21-12-11-19(29)15-20(21)27(30,31)32/h2-12,15,22-23H,13-14H2,1H3,(H,33,36)(H,34,35)