1-[2-[(3-methylphenyl)methylsulfanyl]ethanoyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[2-[(3-methylphenyl)methylsulfanyl]ethanoyl]piperidine-2-carboxylic acid Openeye Name: 1-[2-(m-tolylmethylsulfanyl)acetyl]piperidine-2-carboxylic acid CAS Name: 1-[2-[(3-methylphenyl)methylthio]-1-oxoethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[2-[(3-methylphenyl)methylsulfanyl]acetyl]piperidine-2-carboxylic acid Traditional Name: 1-[2-[(3-methylbenzyl)thio]acetyl]pipecolinic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)N2CCCCC2C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)N2CCCCC2C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-12-5-4-6-13(9-12)10-21-11-15(18)17-8-3-2-7-14(17)16(19)20/h4-6,9,14H,2-3,7-8,10-11H2,1H3,(H,19,20)