1-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-[3-(methylthio)anilino]-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-(3-methylsulfanylanilino)-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-keto-2-[3-(methylthio)anilino]ethyl]cyclohexanecarboxylic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CC2(CCCCC2)C(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CC2(CCCCC2)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-21-13-7-5-6-12(10-13)17-14(18)11-16(15(19)20)8-3-2-4-9-16/h5-7,10H,2-4,8-9,11H2,1H3,(H,17,18)(H,19,20)