2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]-2-sulfanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]-2-sulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]-2-sulfanyl-phenoxy]acetic acid CAS Name: 2-[4-[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]-2-mercaptophenoxy]acetic acid IUPAC Name: 2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-2-sulfanylphenoxy]acetic acid Traditional Name: 2-[4-[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]-2-mercapto-phenoxy]acetic acid Formula: C23H28N2O4S2 MolecularWeight: 460.60942

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)C2=CC(=C(C=C2)OCC(=O)O)S)C(=O)NC3CCCCC3

Isomeric SMILES

CCCSC1=C(C=CC(=N1)C2=CC(=C(C=C2)OCC(=O)O)S)C(=O)NC3CCCCC3

InChI

InChI=1S/C23H28N2O4S2/c1-2-12-31-23-17(22(28)24-16-6-4-3-5-7-16)9-10-18(25-23)15-8-11-19(20(30)13-15)29-14-21(26)27/h8-11,13,16,30H,2-7,12,14H2,1H3,(H,24,28)(H,26,27)