3-ethanoyl-6-(4-phenoxyphenyl)-2-sulfanylidene-4,5-dihydropyrimidine-4-carboxylic acid

Systemtic Name: 3-ethanoyl-6-(4-phenoxyphenyl)-2-sulfanylidene-4,5-dihydropyrimidine-4-carboxylic acid Openeye Name: 3-acetyl-6-(4-phenoxyphenyl)-2-thioxo-4,5-dihydropyrimidine-4-carboxylic acid CAS Name: 3-acetyl-6-(4-phenoxyphenyl)-2-sulfanylidene-4,5-dihydropyrimidine-4-carboxylic acid IUPAC Name: 3-acetyl-6-(4-phenoxyphenyl)-2-sulfanylidene-4,5-dihydropyrimidine-4-carboxylic acid Traditional Name: 3-acetyl-6-(4-phenoxyphenyl)-2-thioxo-4,5-dihydropyrimidine-4-carboxylic acid Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=NC1=S)C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(=O)N1C(CC(=NC1=S)C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H16N2O4S/c1-12(22)21-17(18(23)24)11-16(20-19(21)26)13-7-9-15(10-8-13)25-14-5-3-2-4-6-14/h2-10,17H,11H2,1H3,(H,23,24)