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

Systemtic Name: methyl 6-[3-methoxy-4-(phenylcarbonyloxy)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(4-benzoyloxy-3-methoxy-phenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-benzoyloxy-3-methoxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(4-benzoyloxy-3-methoxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-benzoyloxy-3-methoxy-phenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5S/c1-13-18(21(26)28-4)19(23-22(30)24(13)2)15-10-11-16(17(12-15)27-3)29-20(25)14-8-6-5-7-9-14/h5-12,19H,1-4H3,(H,23,30)