methyl (5Z)-2-methyl-4-(3-nitrophenyl)-6-oxidanylidene-5-[oxidanyl(2-thiophen-2-ylethoxy)methylidene]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl (5Z)-2-methyl-4-(3-nitrophenyl)-6-oxidanylidene-5-[oxidanyl(2-thiophen-2-ylethoxy)methylidene]-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl (5Z)-5-[hydroxy-[2-(2-thienyl)ethoxy]methylene]-2-methyl-4-(3-nitrophenyl)-6-oxo-1,4-dihydropyridine-3-carboxylate CAS Name: (5Z)-5-[hydroxy(2-thiophen-2-ylethoxy)methylidene]-2-methyl-4-(3-nitrophenyl)-6-oxo-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (5Z)-5-[hydroxy(2-thiophen-2-ylethoxy)methylidene]-2-methyl-4-(3-nitrophenyl)-6-oxo-1,4-dihydropyridine-3-carboxylate Traditional Name: (5Z)-5-[hydroxy-[2-(2-thienyl)ethoxy]methylene]-6-keto-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O)OCCC2=CC=CS2)C(=O)N1)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(/C(=C(\O)/OCCC2=CC=CS2)/C(=O)N1)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H20N2O7S/c1-12-16(20(25)29-2)17(13-5-3-6-14(11-13)23(27)28)18(19(24)22-12)21(26)30-9-8-15-7-4-10-31-15/h3-7,10-11,17,26H,8-9H2,1-2H3,(H,22,24)/b21-18-