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

Systemtic Name: [(4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-(2-nitrophenyl)-2-oxidanylidene-1,4-dihydropyridin-3-ylidene]-ethoxy-methanolate Openeye Name: [(4S)-6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-4-(2-nitrophenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-ethoxy-methanolate CAS Name: [(4S)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-4-(2-nitrophenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-ethoxymethanolate IUPAC Name: [(4S)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(2-nitrophenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-ethoxymethanolate Traditional Name: [(4S)-6-[(2-amino-2-keto-ethyl)thio]-5-cyano-2-keto-4-(2-nitrophenyl)-1,4-dihydropyridin-3-ylidene]-ethoxy-methanolate Formula: C17H15N4O6S- MolecularWeight: 403.3892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O6S/c1-2-27-17(24)14-13(9-5-3-4-6-11(9)21(25)26)10(7-18)16(20-15(14)23)28-8-12(19)22/h3-6,13,24H,2,8H2,1H3,(H2,19,22)(H,20,23)/p-1/t13-/m1/s1