4-[(4S)-5-cyano-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-oxidanylidene-3,4-dihydro-1H-pyridin-4-yl]-2-nitro-phenolate

Systemtic Name: 4-[(4S)-5-cyano-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-oxidanylidene-3,4-dihydro-1H-pyridin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4S)-5-cyano-6-(2-methoxy-2-oxo-ethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4S)-5-cyano-6-[(2-methoxy-2-oxoethyl)thio]-2-oxo-3,4-dihydro-1H-pyridin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4S)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4S)-5-cyano-2-keto-6-[(2-keto-2-methoxy-ethyl)thio]-3,4-dihydro-1H-pyridin-4-yl]-2-nitro-phenolate Formula: C15H12N3O6S- MolecularWeight: 362.33728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C(CC(=O)N1)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

COC(=O)CSC1=C([C@@H](CC(=O)N1)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C#N

InChI

InChI=1S/C15H13N3O6S/c1-24-14(21)7-25-15-10(6-16)9(5-13(20)17-15)8-2-3-12(19)11(4-8)18(22)23/h2-4,9,19H,5,7H2,1H3,(H,17,20)/p-1/t9-/m0/s1