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

Systemtic Name: methyl 4-(2-methoxy-5-nitro-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(2-methoxy-5-nitro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2-methoxy-5-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-methoxy-5-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-methoxy-5-nitro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)[N+](=O)[O-])OC)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)[N+](=O)[O-])OC)C(=O)OC

InChI

InChI=1S/C14H15N3O5S/c1-7-11(13(18)22-3)12(16-14(23)15-7)9-6-8(17(19)20)4-5-10(9)21-2/h4-6,12H,1-3H3,(H2,15,16,23)