ethyl 2,6-dimethyl-5-[[2-(3-nitrophenyl)-5-oxidanylidene-1,3,4-thiadiazin-4-yl]carbonyl]pyridine-3-carboxylate

Systemtic Name: ethyl 2,6-dimethyl-5-[[2-(3-nitrophenyl)-5-oxidanylidene-1,3,4-thiadiazin-4-yl]carbonyl]pyridine-3-carboxylate Openeye Name: ethyl 2,6-dimethyl-5-[2-(3-nitrophenyl)-5-oxo-1,3,4-thiadiazine-4-carbonyl]pyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-[[2-(3-nitrophenyl)-5-oxo-1,3,4-thiadiazin-4-yl]-oxomethyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,6-dimethyl-5-[2-(3-nitrophenyl)-5-oxo-1,3,4-thiadiazine-4-carbonyl]pyridine-3-carboxylate Traditional Name: 5-[5-keto-2-(3-nitrophenyl)-1,3,4-thiadiazine-4-carbonyl]-2,6-dimethyl-nicotinic acid ethyl ester Formula: C20H18N4O6S MolecularWeight: 442.44512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C(=O)N2C(=O)CSC(=N2)C3=CC(=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C(=O)N2C(=O)CSC(=N2)C3=CC(=CC=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C20H18N4O6S/c1-4-30-20(27)16-9-15(11(2)21-12(16)3)19(26)23-17(25)10-31-18(22-23)13-6-5-7-14(8-13)24(28)29/h5-9H,4,10H2,1-3H3