ethyl 4-[3,4-bis(oxidanyl)phenyl]-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl 4-[3,4-bis(oxidanyl)phenyl]-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-(3,4-dihydroxyphenyl)-6-phenyl-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(3,4-dihydroxyphenyl)-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dihydroxyphenyl)-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-(3,4-dihydroxyphenyl)-6-phenyl-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=S)NC1C2=CC(=C(C=C2)O)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C(NC(=S)NC1C2=CC(=C(C=C2)O)O)C3=CC=CC=C3

InChI

InChI=1S/C19H20N2O4S/c1-2-25-18(24)15-16(11-6-4-3-5-7-11)20-19(26)21-17(15)12-8-9-13(22)14(23)10-12/h3-10,15-17,22-23H,2H2,1H3,(H2,20,21,26)