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

Systemtic Name: ethyl 4-(2,3-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2,3-dimethoxyphenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2,3-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,3-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2,3-dimethoxyphenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=C(C(=CC=C2)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=C(C(=CC=C2)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c1-4-27-20(24)16-17(13-9-6-5-7-10-13)22-21(28)23-18(16)14-11-8-12-15(25-2)19(14)26-3/h5-12,18H,4H2,1-3H3,(H2,22,23,28)