ethyl 4-(4-chlorophenyl)-6-(diphenylphosphorylmethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-6-(diphenylphosphorylmethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-6-(diphenylphosphorylmethyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-6-(diphenylphosphorylmethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-6-(diphenylphosphorylmethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-6-(diphenylphosphorylmethyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H24ClN2O3PS MolecularWeight: 510.972121

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)Cl)CP(=O)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)Cl)CP(=O)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H24ClN2O3PS/c1-2-32-25(30)23-22(28-26(34)29-24(23)18-13-15-19(27)16-14-18)17-33(31,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,24H,2,17H2,1H3,(H2,28,29,34)