1-[2-(2-methylphenyl)sulfanylethanoylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-(2-methylphenyl)sulfanylethanoylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[[2-(o-tolylsulfanyl)acetyl]amino]cyclohexanecarboxylic acid CAS Name: 1-[[2-[(2-methylphenyl)thio]-1-oxoethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[2-(2-methylphenyl)sulfanylacetyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[2-(o-tolylthio)acetyl]amino]cyclohexanecarboxylic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NC2(CCCCC2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NC2(CCCCC2)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-12-7-3-4-8-13(12)21-11-14(18)17-16(15(19)20)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,17,18)(H,19,20)