1-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[(2-methyl-5-methylsulfanyl-benzoyl)amino]cyclohexanecarboxylic acid CAS Name: 1-[[[2-methyl-5-(methylthio)phenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(2-methyl-5-methylsulfanylbenzoyl)amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[2-methyl-5-(methylthio)benzoyl]amino]cyclohexanecarboxylic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)NC2(CCCCC2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)NC2(CCCCC2)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-11-6-7-12(21-2)10-13(11)14(18)17-16(15(19)20)8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,18)(H,19,20)