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

Systemtic Name: [(4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-oxidanylidene-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Openeye Name: [(4S)-6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate CAS Name: [(4S)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxymethanolate IUPAC Name: [(4S)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxymethanolate Traditional Name: [(4S)-6-[(2-amino-2-keto-ethyl)thio]-5-cyano-2-keto-4-p-phenetyl-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Formula: C18H18N3O5S- MolecularWeight: 388.41762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(NC(=O)C2=C([O-])OC)SCC(=O)N)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H]2C(=C(NC(=O)C2=C([O-])OC)SCC(=O)N)C#N

InChI

InChI=1S/C18H19N3O5S/c1-3-26-11-6-4-10(5-7-11)14-12(8-19)17(27-9-13(20)22)21-16(23)15(14)18(24)25-2/h4-7,14,24H,3,9H2,1-2H3,(H2,20,22)(H,21,23)/p-1/t14-/m1/s1