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

Systemtic Name: 1-[2-[(4-methylphenyl)methylsulfanyl]ethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(p-tolylmethylsulfanyl)acetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(4-methylphenyl)methylthio]-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[(4-methylphenyl)methylsulfanyl]acetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[(4-methylbenzyl)thio]acetyl]nipecotic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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