2-[2-[6-(4-pentan-3-ylsulfanylphenoxy)pyridin-3-yl]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[6-(4-pentan-3-ylsulfanylphenoxy)pyridin-3-yl]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[6-[4-(1-ethylpropylsulfanyl)phenoxy]-3-pyridyl]acetyl]amino]benzoic acid CAS Name: 2-[[1-oxo-2-[6-[4-(pentan-3-ylthio)phenoxy]-3-pyridinyl]ethyl]amino]benzoic acid IUPAC Name: 2-[[2-[6-(4-pentan-3-ylsulfanylphenoxy)pyridin-3-yl]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[6-[4-(1-ethylpropylthio)phenoxy]-3-pyridyl]acetyl]amino]benzoic acid Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=CC=C(C=C1)OC2=NC=C(C=C2)CC(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCC(CC)SC1=CC=C(C=C1)OC2=NC=C(C=C2)CC(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C25H26N2O4S/c1-3-19(4-2)32-20-12-10-18(11-13-20)31-24-14-9-17(16-26-24)15-23(28)27-22-8-6-5-7-21(22)25(29)30/h5-14,16,19H,3-4,15H2,1-2H3,(H,27,28)(H,29,30)