methyl 1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-(p-tolylsulfanyl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-[(4-methylphenyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(p-tolylthio)propanoyl]isonipecotic acid methyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N2CCC(CC2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C17H23NO3S/c1-13-3-5-15(6-4-13)22-12-9-16(19)18-10-7-14(8-11-18)17(20)21-2/h3-6,14H,7-12H2,1-2H3