1-[3-(4-methylphenyl)sulfanylpropanoylamino]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[3-(4-methylphenyl)sulfanylpropanoylamino]cyclopentane-1-carboxylic acid Openeye Name: 1-[3-(p-tolylsulfanyl)propanoylamino]cyclopentanecarboxylic acid CAS Name: 1-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[3-(4-methylphenyl)sulfanylpropanoylamino]cyclopentane-1-carboxylic acid Traditional Name: 1-[3-(p-tolylthio)propanoylamino]cyclopentanecarboxylic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NC2(CCCC2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)NC2(CCCC2)C(=O)O

InChI

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