methyl 1-[2-(4-methoxyphenyl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(4-methoxyphenyl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4-methoxyphenyl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-methoxyphenyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-methoxyphenyl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-methoxyphenyl)thio]acetyl]isonipecotic acid methyl ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)N2CCC(CC2)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C16H21NO4S/c1-20-13-3-5-14(6-4-13)22-11-15(18)17-9-7-12(8-10-17)16(19)21-2/h3-6,12H,7-11H2,1-2H3