1-[(2-methylsulfanylphenyl)carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[(2-methylsulfanylphenyl)carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[(2-methylsulfanylbenzoyl)amino]cyclohexanecarboxylic acid CAS Name: 1-[[[2-(methylthio)phenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(2-methylsulfanylbenzoyl)amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[2-(methylthio)benzoyl]amino]cyclohexanecarboxylic acid Formula: C15H19NO3S MolecularWeight: 293.38126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NC2(CCCCC2)C(=O)O

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NC2(CCCCC2)C(=O)O

InChI

InChI=1S/C15H19NO3S/c1-20-12-8-4-3-7-11(12)13(17)16-15(14(18)19)9-5-2-6-10-15/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,16,17)(H,18,19)