methyl 6-(3-ethoxy-4-oxidanyl-phenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-(3-ethoxy-4-oxidanyl-phenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(3-ethoxy-4-hydroxy-phenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-ethoxy-4-hydroxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(3-ethoxy-4-hydroxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-ethoxy-4-hydroxy-phenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=S)N2)C)C)C(=O)OC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=S)N2)C)C)C(=O)OC)O

InChI

InChI=1S/C16H20N2O4S/c1-5-22-12-8-10(6-7-11(12)19)14-13(15(20)21-4)9(2)18(3)16(23)17-14/h6-8,14,19H,5H2,1-4H3,(H,17,23)