4-(4-chlorophenyl)-4-oxidanylidene-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-butanoic acid

Systemtic Name: 4-(4-chlorophenyl)-4-oxidanylidene-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-butanoic acid Openeye Name: 4-(4-chlorophenyl)-4-oxo-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]butanoic acid CAS Name: 4-(4-chlorophenyl)-4-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]butanoic acid IUPAC Name: 4-(4-chlorophenyl)-4-oxo-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoic acid Traditional Name: 4-(4-chlorophenyl)-4-keto-2-[[5-(trifluoromethyl)-2-pyridyl]thio]butyric acid Formula: C16H11ClF3NO3S MolecularWeight: 389.77665

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CC(C(=O)O)SC2=NC=C(C=C2)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CC(C(=O)O)SC2=NC=C(C=C2)C(F)(F)F)Cl

InChI

InChI=1S/C16H11ClF3NO3S/c17-11-4-1-9(2-5-11)12(22)7-13(15(23)24)25-14-6-3-10(8-21-14)16(18,19)20/h1-6,8,13H,7H2,(H,23,24)