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

Systemtic Name: ethyl 4-(4-methoxy-3-nitro-phenyl)-6-methyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-methoxy-3-nitro-phenyl)-6-methyl-2-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-methoxy-3-nitrophenyl)-6-methyl-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxy-3-nitrophenyl)-6-methyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-methoxy-3-nitro-phenyl)-6-methyl-2-thioxo-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H15N3O5S MolecularWeight: 349.3617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O5S/c1-4-23-14(19)12-8(2)16-15(24)17-13(12)9-5-6-11(22-3)10(7-9)18(20)21/h5-7H,4H2,1-3H3,(H,16,17,24)