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

Systemtic Name: 2-[6-(4-pentan-3-ylsulfanylphenoxy)pyridin-3-yl]ethanoic acid Openeye Name: 2-[6-[4-(1-ethylpropylsulfanyl)phenoxy]-3-pyridyl]acetic acid CAS Name: 2-[6-[4-(pentan-3-ylthio)phenoxy]-3-pyridinyl]acetic acid IUPAC Name: 2-[6-(4-pentan-3-ylsulfanylphenoxy)pyridin-3-yl]acetic acid Traditional Name: 2-[6-[4-(1-ethylpropylthio)phenoxy]-3-pyridyl]acetic acid Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO3S/c1-3-15(4-2)23-16-8-6-14(7-9-16)22-17-10-5-13(12-19-17)11-18(20)21/h5-10,12,15H,3-4,11H2,1-2H3,(H,20,21)