4-[2-(5-methyl-3-oxidanylidene-1,2-oxazol-2-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-(5-methyl-3-oxidanylidene-1,2-oxazol-2-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(5-methyl-3-oxo-isoxazol-2-yl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(5-methyl-3-oxo-2-isoxazolyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-keto-2-(3-keto-5-methyl-4-isoxazolin-2-yl)ethyl]thio]benzoic acid Formula: C13H11NO5S MolecularWeight: 293.29514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(O1)C(=O)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC(=O)N(O1)C(=O)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H11NO5S/c1-8-6-11(15)14(19-8)12(16)7-20-10-4-2-9(3-5-10)13(17)18/h2-6H,7H2,1H3,(H,17,18)