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

Systemtic Name: ethyl (4R)-4-(2-chloranyl-4,5-dimethoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-(2-chloro-4,5-dimethoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(2-chloro-4,5-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(2-chloro-4,5-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(2-chloro-4,5-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(=C(C=C2Cl)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N[C@H]1C2=CC(=C(C=C2Cl)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O4S/c1-4-28-20(25)17-18(12-8-6-5-7-9-12)23-21(29)24-19(17)13-10-15(26-2)16(27-3)11-14(13)22/h5-11,19H,4H2,1-3H3,(H2,23,24,29)/t19-/m0/s1