ethyl 4-(4-chlorophenyl)-6-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-6-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-6-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-6-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-6-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-4-(4-chlorophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H24ClN3O4S MolecularWeight: 461.96166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)Cl)C3=C(C(=C(N3)C)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)Cl)C3=C(C(=C(N3)C)C(=O)OCC)C

InChI

InChI=1S/C22H24ClN3O4S/c1-5-29-20(27)15-11(3)17(24-12(15)4)19-16(21(28)30-6-2)18(25-22(31)26-19)13-7-9-14(23)10-8-13/h7-10,18,24H,5-6H2,1-4H3,(H2,25,26,31)