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

Systemtic Name: 2-[3-(3-ethanoylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[3-(3-acetylphenyl)-4-oxo-2-thioxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[3-(3-acetylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[3-(3-acetylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[3-(3-acetylphenyl)-4-keto-2-thioxo-1H-pyrimidin-5-yl]acetic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N2C(=O)C(=CNC2=S)CC(=O)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N2C(=O)C(=CNC2=S)CC(=O)O

InChI

InChI=1S/C14H12N2O4S/c1-8(17)9-3-2-4-11(5-9)16-13(20)10(6-12(18)19)7-15-14(16)21/h2-5,7H,6H2,1H3,(H,15,21)(H,18,19)