1-(4-methylsulfanylphenyl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(4-methylsulfanylphenyl)carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(4-methylsulfanylbenzoyl)piperidine-3-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(4-methylsulfanylbenzoyl)piperidine-3-carboxylic acid Traditional Name: 1-[4-(methylthio)benzoyl]nipecotic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C14H17NO3S/c1-19-12-6-4-10(5-7-12)13(16)15-8-2-3-11(9-15)14(17)18/h4-7,11H,2-3,8-9H2,1H3,(H,17,18)