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

Systemtic Name: (4S)-5-[ethoxy(oxidanyl)methylidene]-2-methylsulfanyl-4-(2-nitrophenyl)-6-oxidanylidene-1,4-dihydropyridine-3-carbonitrile Openeye Name: (4S)-5-[ethoxy(hydroxy)methylene]-2-methylsulfanyl-4-(2-nitrophenyl)-6-oxo-1,4-dihydropyridine-3-carbonitrile CAS Name: (4S)-5-[ethoxy(hydroxy)methylidene]-2-(methylthio)-4-(2-nitrophenyl)-6-oxo-1,4-dihydropyridine-3-carbonitrile IUPAC Name: (4S)-5-[ethoxy(hydroxy)methylidene]-2-methylsulfanyl-4-(2-nitrophenyl)-6-oxo-1,4-dihydropyridine-3-carbonitrile Traditional Name: (4S)-5-[ethoxy(hydroxy)methylene]-6-keto-2-(methylthio)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O5S/c1-3-24-16(21)13-12(9-6-4-5-7-11(9)19(22)23)10(8-17)15(25-2)18-14(13)20/h4-7,12,21H,3H2,1-2H3,(H,18,20)/t12-/m1/s1