5-cyano-3-ethoxycarbonyl-6-(phenylmethylsulfanyl)pyridin-2-olate

Systemtic Name: 5-cyano-3-ethoxycarbonyl-6-(phenylmethylsulfanyl)pyridin-2-olate Openeye Name: 6-benzylsulfanyl-5-cyano-3-ethoxycarbonyl-pyridin-2-olate CAS Name: 5-cyano-3-ethoxycarbonyl-6-(phenylmethylthio)-2-pyridinolate IUPAC Name: 6-benzylsulfanyl-5-cyano-3-ethoxycarbonylpyridin-2-olate Traditional Name: 6-(benzylthio)-3-carbethoxy-5-cyano-pyridin-2-olate Formula: C16H13N2O3S- MolecularWeight: 313.35102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O3S/c1-2-21-16(20)13-8-12(9-17)15(18-14(13)19)22-10-11-6-4-3-5-7-11/h3-8H,2,10H2,1H3,(H,18,19)/p-1