2-ethanoylsulfanyl-7-[6-(pyridin-4-ylmethoxy)naphthalen-2-yl]heptanoic acid

Systemtic Name: 2-ethanoylsulfanyl-7-[6-(pyridin-4-ylmethoxy)naphthalen-2-yl]heptanoic acid Openeye Name: 2-acetylsulfanyl-7-[6-(4-pyridylmethoxy)-2-naphthyl]heptanoic acid CAS Name: 2-(acetylthio)-7-[6-(pyridin-4-ylmethoxy)-2-naphthalenyl]heptanoic acid IUPAC Name: 2-acetylsulfanyl-7-[6-(pyridin-4-ylmethoxy)naphthalen-2-yl]heptanoic acid Traditional Name: 2-(acetylthio)-7-[6-(4-pyridylmethoxy)-2-naphthyl]enanthic acid Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CCCCCC1=CC2=C(C=C1)C=C(C=C2)OCC3=CC=NC=C3)C(=O)O

Isomeric SMILES

CC(=O)SC(CCCCCC1=CC2=C(C=C1)C=C(C=C2)OCC3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C25H27NO4S/c1-18(27)31-24(25(28)29)6-4-2-3-5-19-7-8-22-16-23(10-9-21(22)15-19)30-17-20-11-13-26-14-12-20/h7-16,24H,2-6,17H2,1H3,(H,28,29)