[(4S)-5-cyano-6-ethylsulfanyl-4-(2-nitrophenyl)-2-oxidanylidene-1,4-dihydropyridin-3-ylidene]-ethoxy-methanolate

Systemtic Name: [(4S)-5-cyano-6-ethylsulfanyl-4-(2-nitrophenyl)-2-oxidanylidene-1,4-dihydropyridin-3-ylidene]-ethoxy-methanolate Openeye Name: [(4S)-5-cyano-6-ethylsulfanyl-4-(2-nitrophenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-ethoxy-methanolate CAS Name: [(4S)-5-cyano-6-(ethylthio)-4-(2-nitrophenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-ethoxymethanolate IUPAC Name: [(4S)-5-cyano-6-ethylsulfanyl-4-(2-nitrophenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-ethoxymethanolate Traditional Name: [(4S)-5-cyano-6-(ethylthio)-2-keto-4-(2-nitrophenyl)-1,4-dihydropyridin-3-ylidene]-ethoxy-methanolate Formula: C17H16N3O5S- MolecularWeight: 374.39104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C(C(=C(NC1=O)SCC)C#N)C2=CC=CC=C2[N+](=O)[O-])[O-]

Isomeric SMILES

CCOC(=C1[C@@H](C(=C(NC1=O)SCC)C#N)C2=CC=CC=C2[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H17N3O5S/c1-3-25-17(22)14-13(10-7-5-6-8-12(10)20(23)24)11(9-18)16(26-4-2)19-15(14)21/h5-8,13,22H,3-4H2,1-2H3,(H,19,21)/p-1/t13-/m1/s1