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

Systemtic Name: methyl (4S)-6-methyl-4-[4-(phenylcarbonyloxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(4-benzoyloxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-benzoyloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(4-benzoyloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-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=C(C=C2)OC(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1)C2=CC=C(C=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)13-8-10-15(11-9-13)26-18(23)14-6-4-3-5-7-14/h3-11,17H,1-2H3,(H2,21,22,27)/t17-/m0/s1