ethyl 6-methyl-4-phenyl-3-(phenylcarbonyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-phenyl-3-(phenylcarbonyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-benzoyl-6-methyl-4-phenyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-benzoyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-benzoyl-6-methyl-4-phenyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)N(C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N(C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H20N2O3S/c1-3-26-20(25)17-14(2)22-21(27)23(18(17)15-10-6-4-7-11-15)19(24)16-12-8-5-9-13-16/h4-13,18H,3H2,1-2H3,(H,22,27)