(4S)-5-[ethoxy(oxidanyl)methylidene]-2-ethylsulfanyl-4-(2-nitrophenyl)-6-oxidanylidene-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: (4S)-5-[ethoxy(oxidanyl)methylidene]-2-ethylsulfanyl-4-(2-nitrophenyl)-6-oxidanylidene-1,4-dihydropyridine-3-carbonitrile Openeye Name: (4S)-5-[ethoxy(hydroxy)methylene]-2-ethylsulfanyl-4-(2-nitrophenyl)-6-oxo-1,4-dihydropyridine-3-carbonitrile CAS Name: (4S)-5-[ethoxy(hydroxy)methylidene]-2-(ethylthio)-4-(2-nitrophenyl)-6-oxo-1,4-dihydropyridine-3-carbonitrile IUPAC Name: (4S)-5-[ethoxy(hydroxy)methylidene]-2-ethylsulfanyl-4-(2-nitrophenyl)-6-oxo-1,4-dihydropyridine-3-carbonitrile Traditional Name: (4S)-5-[ethoxy(hydroxy)methylene]-2-(ethylthio)-6-keto-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Formula: C17H17N3O5S MolecularWeight: 375.39898

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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)/t13-/m1/s1