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

Systemtic Name: ethyl 1-(2-propylsulfanylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(2-propylsulfanylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[oxo-[2-(propylthio)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-propylsulfanylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-[2-(propylthio)benzoyl]isonipecotic acid ethyl ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO3S/c1-3-13-23-16-8-6-5-7-15(16)17(20)19-11-9-14(10-12-19)18(21)22-4-2/h5-8,14H,3-4,9-13H2,1-2H3