(2R)-4-(4-bromophenyl)-4-oxidanylidene-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-butanoate

Systemtic Name: (2R)-4-(4-bromophenyl)-4-oxidanylidene-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-butanoate Openeye Name: (2R)-4-(4-bromophenyl)-4-oxo-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]butanoate CAS Name: (2R)-4-(4-bromophenyl)-4-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]butanoate IUPAC Name: (2R)-4-(4-bromophenyl)-4-oxo-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoate Traditional Name: (2R)-4-(4-bromophenyl)-4-keto-2-[[5-(trifluoromethyl)-2-pyridyl]thio]butyrate Formula: C16H10BrF3NO3S- MolecularWeight: 433.21971

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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)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)C[C@H](C(=O)[O-])SC2=NC=C(C=C2)C(F)(F)F)Br

InChI

InChI=1S/C16H11BrF3NO3S/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)/p-1/t13-/m1/s1