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

Systemtic Name: 2-[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[3-(3-chloro-4-methoxy-phenyl)-4-oxo-2-thioxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[3-(3-chloro-4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[3-(3-chloro-4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[3-(3-chloro-4-methoxy-phenyl)-4-keto-2-thioxo-1H-pyrimidin-5-yl]acetic acid Formula: C13H11ClN2O4S MolecularWeight: 326.75544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2O4S/c1-20-10-3-2-8(5-9(10)14)16-12(19)7(4-11(17)18)6-15-13(16)21/h2-3,5-6H,4H2,1H3,(H,15,21)(H,17,18)