methyl 2-(2-chlorophenyl)-2-(4-sulfanylpiperidin-1-yl)ethanoate

Systemtic Name: methyl 2-(2-chlorophenyl)-2-(4-sulfanylpiperidin-1-yl)ethanoate Openeye Name: methyl 2-(2-chlorophenyl)-2-(4-sulfanyl-1-piperidyl)acetate CAS Name: 2-(2-chlorophenyl)-2-(4-mercapto-1-piperidinyl)acetic acid methyl ester IUPAC Name: methyl 2-(2-chlorophenyl)-2-(4-sulfanylpiperidin-1-yl)acetate Traditional Name: 2-(2-chlorophenyl)-2-(4-mercaptopiperidino)acetic acid methyl ester Formula: C14H18ClNO2S MolecularWeight: 299.81622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)N2CCC(CC2)S

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1Cl)N2CCC(CC2)S

InChI

InChI=1S/C14H18ClNO2S/c1-18-14(17)13(11-4-2-3-5-12(11)15)16-8-6-10(19)7-9-16/h2-5,10,13,19H,6-9H2,1H3