1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid Openeye Name: 1-[3-(p-tolylsulfanyl)propanoyl]piperidine-2-carboxylic acid CAS Name: 1-[3-[(4-methylphenyl)thio]-1-oxopropyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid Traditional Name: 1-[3-(p-tolylthio)propanoyl]pipecolinic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N2CCCCC2C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N2CCCCC2C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-12-5-7-13(8-6-12)21-11-9-15(18)17-10-3-2-4-14(17)16(19)20/h5-8,14H,2-4,9-11H2,1H3,(H,19,20)