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

Systemtic Name: [(4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-(2-methylphenyl)-2-oxidanylidene-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Openeye Name: [(4S)-6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-4-(o-tolyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate CAS Name: [(4S)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-4-(2-methylphenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxymethanolate IUPAC Name: [(4S)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(2-methylphenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxymethanolate Traditional Name: [(4S)-6-[(2-amino-2-keto-ethyl)thio]-5-cyano-2-keto-4-(o-tolyl)-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Formula: C17H16N3O4S- MolecularWeight: 358.39164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(=C(NC(=O)C2=C([O-])OC)SCC(=O)N)C#N

Isomeric SMILES

CC1=CC=CC=C1[C@@H]2C(=C(NC(=O)C2=C([O-])OC)SCC(=O)N)C#N

InChI

InChI=1S/C17H17N3O4S/c1-9-5-3-4-6-10(9)13-11(7-18)16(25-8-12(19)21)20-15(22)14(13)17(23)24-2/h3-6,13,23H,8H2,1-2H3,(H2,19,21)(H,20,22)/p-1/t13-/m1/s1