2-[3-(3-ethanoylphenyl)-6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[3-(3-ethanoylphenyl)-6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[3-(3-acetylphenyl)-6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[3-(3-acetylphenyl)-6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[3-(3-acetylphenyl)-6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[3-(3-acetylphenyl)-4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl]acetic acid Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=S)N1)C2=CC=CC(=C2)C(=O)C)CC(=O)O

Isomeric SMILES

CC1=C(C(=O)N(C(=S)N1)C2=CC=CC(=C2)C(=O)C)CC(=O)O

InChI

InChI=1S/C15H14N2O4S/c1-8-12(7-13(19)20)14(21)17(15(22)16-8)11-5-3-4-10(6-11)9(2)18/h3-6H,7H2,1-2H3,(H,16,22)(H,19,20)