1-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-[2-(methylthio)anilino]-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-(2-methylsulfanylanilino)-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-keto-2-[2-(methylthio)anilino]ethyl]cyclohexanecarboxylic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CC2(CCCCC2)C(=O)O

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CC2(CCCCC2)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-21-13-8-4-3-7-12(13)17-14(18)11-16(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)