methyl 3,4-dimethyl-6-[3-(phenylcarbonyloxy)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3,4-dimethyl-6-[3-(phenylcarbonyloxy)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(3-benzoyloxyphenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-benzoyloxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(3-benzoyloxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-benzoyloxyphenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O4S/c1-13-17(20(25)26-3)18(22-21(28)23(13)2)15-10-7-11-16(12-15)27-19(24)14-8-5-4-6-9-14/h4-12,18H,1-3H3,(H,22,28)