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

Systemtic Name: 2-[3-(4-ethylphenyl)-6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[3-(4-ethylphenyl)-6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[3-(4-ethylphenyl)-6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[3-(4-ethylphenyl)-6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[3-(4-ethylphenyl)-4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl]acetic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=C(NC2=S)C)CC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=C(NC2=S)C)CC(=O)O

InChI

InChI=1S/C15H16N2O3S/c1-3-10-4-6-11(7-5-10)17-14(20)12(8-13(18)19)9(2)16-15(17)21/h4-7H,3,8H2,1-2H3,(H,16,21)(H,18,19)