1-[2-(4-methylphenyl)sulfanylethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(4-methylphenyl)sulfanylethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(p-tolylsulfanyl)acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(4-methylphenyl)thio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(4-methylphenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(p-tolylthio)acetyl]proline Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N2CCCC2C(=O)O

InChI

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