2-[2-[(3-chloranyl-5-phenylsulfanyl-pyridin-2-yl)oxymethyl]phenyl]-2-oxidanylidene-ethanoate

Systemtic Name: 2-[2-[(3-chloranyl-5-phenylsulfanyl-pyridin-2-yl)oxymethyl]phenyl]-2-oxidanylidene-ethanoate Openeye Name: 2-[2-[(3-chloro-5-phenylsulfanyl-2-pyridyl)oxymethyl]phenyl]-2-oxo-acetate CAS Name: 2-[2-[[3-chloro-5-(phenylthio)-2-pyridinyl]oxymethyl]phenyl]-2-oxoacetate IUPAC Name: 2-[2-[(3-chloro-5-phenylsulfanylpyridin-2-yl)oxymethyl]phenyl]-2-oxoacetate Traditional Name: 2-[2-[[3-chloro-5-(phenylthio)-2-pyridyl]oxymethyl]phenyl]-2-keto-acetate Formula: C20H13ClNO4S- MolecularWeight: 398.83952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC(=C(N=C2)OCC3=CC=CC=C3C(=O)C(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC(=C(N=C2)OCC3=CC=CC=C3C(=O)C(=O)[O-])Cl

InChI

InChI=1S/C20H14ClNO4S/c21-17-10-15(27-14-7-2-1-3-8-14)11-22-19(17)26-12-13-6-4-5-9-16(13)18(23)20(24)25/h1-11H,12H2,(H,24,25)/p-1