diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1-(3-oxidanylidenebutanethioylsulfanyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1-(3-oxidanylidenebutanethioylsulfanyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1-(3-oxobutanethioylsulfanyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1-[(3-oxo-1-sulfanylidenebutyl)thio]-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1-(3-oxobutanethioylsulfanyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(3-ketobutanethioylthio)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C23H26N2O7S2 MolecularWeight: 506.59174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C)SC(=S)CC(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C)SC(=S)CC(=O)C)C

InChI

InChI=1S/C23H26N2O7S2/c1-6-31-22(27)19-14(4)24(34-18(33)11-13(3)26)15(5)20(23(28)32-7-2)21(19)16-9-8-10-17(12-16)25(29)30/h8-10,12,21H,6-7,11H2,1-5H3