2-[3-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]oxyphenyl]ethanoic acid

Systemtic Name: 2-[3-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]oxyphenyl]ethanoic acid Openeye Name: 2-[3-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]oxy]phenyl]acetic acid CAS Name: 2-[3-[[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]oxy]phenyl]acetic acid IUPAC Name: 2-[3-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]oxyphenyl]acetic acid Traditional Name: 2-[3-[[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]oxy]phenyl]acetic acid Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)OC2=CC=CC(=C2)CC(=O)O)C(=O)NC3CCCCC3

Isomeric SMILES

CCCSC1=C(C=CC(=N1)OC2=CC=CC(=C2)CC(=O)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C23H28N2O4S/c1-2-13-30-23-19(22(28)24-17-8-4-3-5-9-17)11-12-20(25-23)29-18-10-6-7-16(14-18)15-21(26)27/h6-7,10-12,14,17H,2-5,8-9,13,15H2,1H3,(H,24,28)(H,26,27)