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

Systemtic Name: methyl (4R)-4-[3,4-bis(oxidanyl)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4R)-4-(3,4-dihydroxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(3,4-dihydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4R)-4-(3,4-dihydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(3,4-dihydroxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC(=C(C=C2)O)O)C(=O)OC

InChI

InChI=1S/C13H14N2O4S/c1-6-10(12(18)19-2)11(15-13(20)14-6)7-3-4-8(16)9(17)5-7/h3-5,11,16-17H,1-2H3,(H2,14,15,20)/t11-/m1/s1