S-(1-oxidanylidene-1-piperidin-1-yl-propan-2-yl) 2-chloranyl-4-fluoranyl-benzenecarbothioate

Systemtic Name: S-(1-oxidanylidene-1-piperidin-1-yl-propan-2-yl) 2-chloranyl-4-fluoranyl-benzenecarbothioate Openeye Name: S-[1-methyl-2-oxo-2-(1-piperidyl)ethyl] 2-chloro-4-fluoro-benzenecarbothioate CAS Name: 2-chloro-4-fluorobenzenecarbothioic acid S-[1-oxo-1-(1-piperidinyl)propan-2-yl] ester IUPAC Name: S-(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-chloro-4-fluorobenzenecarbothioate Traditional Name: 2-chloro-4-fluoro-thiobenzoic acid S-(2-keto-1-methyl-2-piperidino-ethyl) ester Formula: C15H17ClFNO2S MolecularWeight: 329.817383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)SC(=O)C2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CC(C(=O)N1CCCCC1)SC(=O)C2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C15H17ClFNO2S/c1-10(14(19)18-7-3-2-4-8-18)21-15(20)12-6-5-11(17)9-13(12)16/h5-6,9-10H,2-4,7-8H2,1H3