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

Systemtic Name: 2-[3-(4-ethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[3-(4-ethylphenyl)-4-oxo-2-thioxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[3-(4-ethylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[3-(4-ethylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[3-(4-ethylphenyl)-4-keto-2-thioxo-1H-pyrimidin-5-yl]acetic acid Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CNC2=S)CC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CNC2=S)CC(=O)O

InChI

InChI=1S/C14H14N2O3S/c1-2-9-3-5-11(6-4-9)16-13(19)10(7-12(17)18)8-15-14(16)20/h3-6,8H,2,7H2,1H3,(H,15,20)(H,17,18)