[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-(2,6-dimethylpiperidino)-2-keto-ethyl] ester Formula: C17H22ClNO3S MolecularWeight: 355.87948

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl)C

Isomeric SMILES

CC1CCCC(N1C(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl)C

InChI

InChI=1S/C17H22ClNO3S/c1-11-5-4-6-12(2)19(11)16(20)10-22-17(21)14-9-13(23-3)7-8-15(14)18/h7-9,11-12H,4-6,10H2,1-3H3