ethyl 3-ethanoylsulfanyl-2,6-dimethyl-3-nitro-4-(2-nitrophenyl)-2,4-dihydro-1H-pyridine-5-carboxylate

Systemtic Name: ethyl 3-ethanoylsulfanyl-2,6-dimethyl-3-nitro-4-(2-nitrophenyl)-2,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: ethyl 3-acetylsulfanyl-2,6-dimethyl-3-nitro-4-(2-nitrophenyl)-2,4-dihydro-1H-pyridine-5-carboxylate CAS Name: 3-(acetylthio)-2,6-dimethyl-3-nitro-4-(2-nitrophenyl)-2,4-dihydro-1H-pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-acetylsulfanyl-2,6-dimethyl-3-nitro-4-(2-nitrophenyl)-2,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: 3-(acetylthio)-2,6-dimethyl-3-nitro-4-(2-nitrophenyl)-2,4-dihydro-1H-pyridine-5-carboxylic acid ethyl ester Formula: C18H21N3O7S MolecularWeight: 423.44024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O7S/c1-5-28-17(23)15-10(2)19-11(3)18(21(26)27,29-12(4)22)16(15)13-8-6-7-9-14(13)20(24)25/h6-9,11,16,19H,5H2,1-4H3