2-[4-methyl-2-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methylsulfanyl]-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[4-methyl-2-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methylsulfanyl]-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-[(5-hydroxy-4-oxo-pyran-2-yl)methylsulfanyl]-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-[(5-hydroxy-4-oxo-2-pyranyl)methylthio]-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-[(5-hydroxy-4-oxopyran-2-yl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[(5-hydroxy-4-keto-pyran-2-yl)methylthio]-4-methyl-thiazol-5-yl]acetic acid Formula: C12H11NO5S2 MolecularWeight: 313.34944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC2=CC(=O)C(=CO2)O)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCC2=CC(=O)C(=CO2)O)CC(=O)O

InChI

InChI=1S/C12H11NO5S2/c1-6-10(3-11(16)17)20-12(13-6)19-5-7-2-8(14)9(15)4-18-7/h2,4,15H,3,5H2,1H3,(H,16,17)