ethyl 4-(5-chloranyl-2,3-dimethoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(5-chloranyl-2,3-dimethoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(5-chloro-2,3-dimethoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(5-chloro-2,3-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-chloro-2,3-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(5-chloro-2,3-dimethoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC(=C2OC)OC)Cl)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC(=C2OC)OC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O4S/c1-4-28-20(25)16-17(12-8-6-5-7-9-12)23-21(29)24-18(16)14-10-13(22)11-15(26-2)19(14)27-3/h5-11,18H,4H2,1-3H3,(H2,23,24,29)