O3-ethyl O5-methyl 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-methyl 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylate CAS Name: 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester IUPAC Name: 3-O-ethyl 5-O-methyl 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Traditional Name: 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C(=C(NC1=S)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1C(C(=C(NC1=S)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6S/c1-4-25-16(21)18-13(10-6-5-7-11(8-10)19(22)23)12(14(20)24-3)9(2)17-15(18)26/h5-8,13H,4H2,1-3H3,(H,17,26)