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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-12-4-2-5-13(8-12)10-21-11-15(18)17-7-3-6-14(9-17)16(19)20/h2,4-5,8,14H,3,6-7,9-11H2,1H3,(H,19,20)