4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]oxycyclohexane-1-carboxylic acid

Systemtic Name: 4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]oxycyclohexane-1-carboxylic acid Openeye Name: 4-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]oxy]cyclohexanecarboxylic acid CAS Name: 4-[[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]oxy]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]oxycyclohexane-1-carboxylic acid Traditional Name: 4-[[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]oxy]cyclohexanecarboxylic acid Formula: C22H32N2O4S MolecularWeight: 420.56548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)OC2CCC(CC2)C(=O)O)C(=O)NC3CCCCC3

Isomeric SMILES

CCCSC1=C(C=CC(=N1)OC2CCC(CC2)C(=O)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C22H32N2O4S/c1-2-14-29-21-18(20(25)23-16-6-4-3-5-7-16)12-13-19(24-21)28-17-10-8-15(9-11-17)22(26)27/h12-13,15-17H,2-11,14H2,1H3,(H,23,25)(H,26,27)