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

Systemtic Name: 2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]sulfanyl]phenyl]acetic acid CAS Name: 2-[4-[[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]thio]phenyl]acetic acid Formula: C23H28N2O3S2 MolecularWeight: 444.61002

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)SC2=CC=C(C=C2)CC(=O)O)C(=O)NC3CCCCC3

Isomeric SMILES

CCCSC1=C(C=CC(=N1)SC2=CC=C(C=C2)CC(=O)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C23H28N2O3S2/c1-2-14-29-23-19(22(28)24-17-6-4-3-5-7-17)12-13-20(25-23)30-18-10-8-16(9-11-18)15-21(26)27/h8-13,17H,2-7,14-15H2,1H3,(H,24,28)(H,26,27)