1-[(2-methoxy-4-methylsulfanyl-phenyl)carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[(2-methoxy-4-methylsulfanyl-phenyl)carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[(2-methoxy-4-methylsulfanyl-benzoyl)amino]cyclohexanecarboxylic acid CAS Name: 1-[[[2-methoxy-4-(methylthio)phenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(2-methoxy-4-methylsulfanylbenzoyl)amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[2-methoxy-4-(methylthio)benzoyl]amino]cyclohexanecarboxylic acid Formula: C16H21NO4S MolecularWeight: 323.40724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)NC2(CCCCC2)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)NC2(CCCCC2)C(=O)O

InChI

InChI=1S/C16H21NO4S/c1-21-13-10-11(22-2)6-7-12(13)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)