(6-phenylsulfanylpyridin-2-yl)methyl 2-[[2-chloranyl-4-(trifluoromethyl)phenyl]amino]-3-methyl-butanoate

Systemtic Name: (6-phenylsulfanylpyridin-2-yl)methyl 2-[[2-chloranyl-4-(trifluoromethyl)phenyl]amino]-3-methyl-butanoate Openeye Name: (6-phenylsulfanyl-2-pyridyl)methyl 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-butanoate CAS Name: 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid [6-(phenylthio)-2-pyridinyl]methyl ester IUPAC Name: (6-phenylsulfanylpyridin-2-yl)methyl 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate Traditional Name: 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-butyric acid [6-(phenylthio)-2-pyridyl]methyl ester Formula: C24H22ClF3N2O2S MolecularWeight: 494.95689

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC(=CC=C1)SC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

CC(C)C(C(=O)OCC1=NC(=CC=C1)SC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C24H22ClF3N2O2S/c1-15(2)22(30-20-12-11-16(13-19(20)25)24(26,27)28)23(31)32-14-17-7-6-10-21(29-17)33-18-8-4-3-5-9-18/h3-13,15,22,30H,14H2,1-2H3