ethyl 6-methyl-4-(3-nitrophenyl)-3-(phenylsulfonyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-(3-nitrophenyl)-3-(phenylsulfonyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-(benzenesulfonyl)-6-methyl-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-(benzenesulfonyl)-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(benzenesulfonyl)-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-besyl-6-methyl-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H19N3O6S2 MolecularWeight: 461.51136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)N(C1C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N(C1C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H19N3O6S2/c1-3-29-19(24)17-13(2)21-20(30)22(31(27,28)16-10-5-4-6-11-16)18(17)14-8-7-9-15(12-14)23(25)26/h4-12,18H,3H2,1-2H3,(H,21,30)