dimethyl 2-(ethanoylsulfanylmethyl)-1-(2-methoxy-2-oxidanylidene-ethyl)-6-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 2-(ethanoylsulfanylmethyl)-1-(2-methoxy-2-oxidanylidene-ethyl)-6-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 2-(acetylsulfanylmethyl)-1-(2-methoxy-2-oxo-ethyl)-6-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 2-[(acetylthio)methyl]-1-(2-methoxy-2-oxoethyl)-6-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(acetylsulfanylmethyl)-1-(2-methoxy-2-oxoethyl)-6-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 2-[(acetylthio)methyl]-1-(2-keto-2-methoxy-ethyl)-6-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C22H24N2O9S MolecularWeight: 492.49896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1CC(=O)OC)CSC(=O)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1CC(=O)OC)CSC(=O)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H24N2O9S/c1-12-18(21(27)32-4)19(14-7-6-8-15(9-14)24(29)30)20(22(28)33-5)16(11-34-13(2)25)23(12)10-17(26)31-3/h6-9,19H,10-11H2,1-5H3