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

Systemtic Name: ethyl 4-(2-ethoxy-5-nitro-phenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-ethoxy-5-nitro-phenyl)-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2-ethoxy-5-nitrophenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-ethoxy-5-nitrophenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-ethoxy-5-nitro-phenyl)-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC)C(=O)OCC

InChI

InChI=1S/C18H23N3O5S/c1-4-7-13-15(17(22)26-6-3)16(20-18(27)19-13)12-10-11(21(23)24)8-9-14(12)25-5-2/h8-10,16H,4-7H2,1-3H3,(H2,19,20,27)