3,5-bis(ethoxycarbonyl)-6-(phenylmethylsulfanyl)pyridin-2-olate

Systemtic Name: 3,5-bis(ethoxycarbonyl)-6-(phenylmethylsulfanyl)pyridin-2-olate Openeye Name: 6-benzylsulfanyl-3,5-bis(ethoxycarbonyl)pyridin-2-olate CAS Name: 3,5-bis(ethoxycarbonyl)-6-(phenylmethylthio)-2-pyridinolate IUPAC Name: 6-benzylsulfanyl-3,5-bis(ethoxycarbonyl)pyridin-2-olate Traditional Name: 6-(benzylthio)-3,5-dicarbethoxy-pyridin-2-olate Formula: C18H18NO5S- MolecularWeight: 360.40422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1[O-])SCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1[O-])SCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C18H19NO5S/c1-3-23-17(21)13-10-14(18(22)24-4-2)16(19-15(13)20)25-11-12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3,(H,19,20)/p-1