methyl 1-(2-propylsulfanylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(2-propylsulfanylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-(2-propylsulfanylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[oxo-[2-(propylthio)phenyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-propylsulfanylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-[2-(propylthio)benzoyl]isonipecotic acid methyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OC

Isomeric SMILES

CCCSC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C17H23NO3S/c1-3-12-22-15-7-5-4-6-14(15)16(19)18-10-8-13(9-11-18)17(20)21-2/h4-7,13H,3,8-12H2,1-2H3