(1S,2S)-2-[(2-methylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-[(2-methylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2S)-2-[(2-methylsulfanylphenyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2S)-2-[[2-(methylthio)anilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2S)-2-[(2-methylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2S)-2-[[2-(methylthio)phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C15H19NO3S MolecularWeight: 293.38126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)[C@H]2CCCC[C@@H]2C(=O)O

InChI

InChI=1S/C15H19NO3S/c1-20-13-9-5-4-8-12(13)16-14(17)10-6-2-3-7-11(10)15(18)19/h4-5,8-11H,2-3,6-7H2,1H3,(H,16,17)(H,18,19)/t10-,11-/m0/s1