methyl (4R,5S)-4-[3,4-bis(oxidanyl)phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(NC(=S)NC1=C)C2=CC(=C(C=C2)O)O

Isomeric SMILES

COC(=O)[C@H]1[C@@H](NC(=S)NC1=C)C2=CC(=C(C=C2)O)O

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/h3-5,10-11,16-17H,1H2,2H3,(H2,14,15,20)/t10-,11+/m1/s1