4-methyl-1-[(4-methylsulfanylphenyl)carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-methyl-1-[(4-methylsulfanylphenyl)carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-methyl-1-[(4-methylsulfanylbenzoyl)amino]cyclohexanecarboxylic acid CAS Name: 4-methyl-1-[[[4-(methylthio)phenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-methyl-1-[(4-methylsulfanylbenzoyl)amino]cyclohexane-1-carboxylic acid Traditional Name: 4-methyl-1-[[4-(methylthio)benzoyl]amino]cyclohexanecarboxylic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C(=O)O)NC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC1CCC(CC1)(C(=O)O)NC(=O)C2=CC=C(C=C2)SC

InChI

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