[(4R)-5-cyano-4-(2-fluorophenyl)-2-oxidanylidene-6-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,4-dihydropyridin-3-ylidene]-ethoxy-methanolate

Systemtic Name: [(4R)-5-cyano-4-(2-fluorophenyl)-2-oxidanylidene-6-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,4-dihydropyridin-3-ylidene]-ethoxy-methanolate Openeye Name: [(4R)-6-(2-anilino-2-oxo-ethyl)sulfanyl-5-cyano-4-(2-fluorophenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-ethoxy-methanolate CAS Name: [(4R)-6-[(2-anilino-2-oxoethyl)thio]-5-cyano-4-(2-fluorophenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-ethoxymethanolate IUPAC Name: [(4R)-6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-4-(2-fluorophenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-ethoxymethanolate Traditional Name: [(4R)-6-[(2-anilino-2-keto-ethyl)thio]-5-cyano-4-(2-fluorophenyl)-2-keto-1,4-dihydropyridin-3-ylidene]-ethoxy-methanolate Formula: C23H19FN3O4S- MolecularWeight: 452.478063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C(C(=C(NC1=O)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=CC=C3F)[O-]

Isomeric SMILES

CCOC(=C1[C@@H](C(=C(NC1=O)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=CC=C3F)[O-]

InChI

InChI=1S/C23H20FN3O4S/c1-2-31-23(30)20-19(15-10-6-7-11-17(15)24)16(12-25)22(27-21(20)29)32-13-18(28)26-14-8-4-3-5-9-14/h3-11,19,30H,2,13H2,1H3,(H,26,28)(H,27,29)/p-1/t19-/m1/s1