methyl 6-methyl-4-[3-(phenylcarbonyloxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 6-methyl-4-[3-(phenylcarbonyloxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(3-benzoyloxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-benzoyloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-benzoyloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-benzoyloxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H18N2O4S/c1-12-16(19(24)25-2)17(22-20(27)21-12)14-9-6-10-15(11-14)26-18(23)13-7-4-3-5-8-13/h3-11,17H,1-2H3,(H2,21,22,27)