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

Systemtic Name: ethyl 4-[3,4-bis(oxidanyl)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3,4-dihydroxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3,4-dihydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dihydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3,4-dihydroxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)O)O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)O)O)C

InChI

InChI=1S/C14H16N2O4S/c1-3-20-13(19)11-7(2)15-14(21)16-12(11)8-4-5-9(17)10(18)6-8/h4-6,12,17-18H,3H2,1-2H3,(H2,15,16,21)