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

Systemtic Name: 2-[3-(3-chloranyl-4-methyl-phenyl)-6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[3-(3-chloro-4-methyl-phenyl)-6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[3-(3-chloro-4-methylphenyl)-6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[3-(3-chloro-4-methylphenyl)-6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[3-(3-chloro-4-methyl-phenyl)-4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl]acetic acid Formula: C14H13ClN2O3S MolecularWeight: 324.78262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=C(NC2=S)C)CC(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=C(NC2=S)C)CC(=O)O)Cl

InChI

InChI=1S/C14H13ClN2O3S/c1-7-3-4-9(5-11(7)15)17-13(20)10(6-12(18)19)8(2)16-14(17)21/h3-5H,6H2,1-2H3,(H,16,21)(H,18,19)