ethyl 4-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H19N3O6S MolecularWeight: 381.40356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C(=C(NC(=S)N2)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C(=C(NC(=S)N2)C)C(=O)OCC

InChI

InChI=1S/C16H19N3O6S/c1-4-24-11-7-9(6-10(14(11)20)19(22)23)13-12(15(21)25-5-2)8(3)17-16(26)18-13/h6-7,13,20H,4-5H2,1-3H3,(H2,17,18,26)