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

Systemtic Name: 2-[3-(3-methoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[3-(3-methoxyphenyl)-4-oxo-2-thioxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[3-(3-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[3-(3-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[4-keto-3-(3-methoxyphenyl)-2-thioxo-1H-pyrimidin-5-yl]acetic acid Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C(=CNC2=S)CC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C(=CNC2=S)CC(=O)O

InChI

InChI=1S/C13H12N2O4S/c1-19-10-4-2-3-9(6-10)15-12(18)8(5-11(16)17)7-14-13(15)20/h2-4,6-7H,5H2,1H3,(H,14,20)(H,16,17)