1-(4-methylsulfanylphenyl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(4-methylsulfanylphenyl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(4-methylsulfanylbenzoyl)piperidine-4-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(4-methylsulfanylbenzoyl)piperidine-4-carboxylic acid Traditional Name: 1-[4-(methylthio)benzoyl]isonipecotic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C14H17NO3S/c1-19-12-4-2-10(3-5-12)13(16)15-8-6-11(7-9-15)14(17)18/h2-5,11H,6-9H2,1H3,(H,17,18)