4-methyl-1-(2-pyridin-4-ylsulfanylethanoylamino)cyclohexane-1-carboxylic acid

Systemtic Name: 4-methyl-1-(2-pyridin-4-ylsulfanylethanoylamino)cyclohexane-1-carboxylic acid Openeye Name: 4-methyl-1-[[2-(4-pyridylsulfanyl)acetyl]amino]cyclohexanecarboxylic acid CAS Name: 4-methyl-1-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-methyl-1-[(2-pyridin-4-ylsulfanylacetyl)amino]cyclohexane-1-carboxylic acid Traditional Name: 4-methyl-1-[[2-(4-pyridylthio)acetyl]amino]cyclohexanecarboxylic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C(=O)O)NC(=O)CSC2=CC=NC=C2

Isomeric SMILES

CC1CCC(CC1)(C(=O)O)NC(=O)CSC2=CC=NC=C2

InChI

InChI=1S/C15H20N2O3S/c1-11-2-6-15(7-3-11,14(19)20)17-13(18)10-21-12-4-8-16-9-5-12/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,17,18)(H,19,20)