(E)-2-oxidanyl-4-oxidanylidene-4-[4-(phenylsulfonyl)-1,3-thiazol-2-yl]but-2-enoic acid

Systemtic Name: (E)-2-oxidanyl-4-oxidanylidene-4-[4-(phenylsulfonyl)-1,3-thiazol-2-yl]but-2-enoic acid Openeye Name: (E)-4-[4-(benzenesulfonyl)thiazol-2-yl]-2-hydroxy-4-oxo-but-2-enoic acid CAS Name: (E)-4-[4-(benzenesulfonyl)-2-thiazolyl]-2-hydroxy-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-(benzenesulfonyl)-1,3-thiazol-2-yl]-2-hydroxy-4-oxobut-2-enoic acid Traditional Name: (E)-4-(4-besylthiazol-2-yl)-2-hydroxy-4-keto-but-2-enoic acid Formula: C13H9NO6S2 MolecularWeight: 339.34366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=CSC(=N2)C(=O)C=C(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CSC(=N2)C(=O)/C=C(\C(=O)O)/O

InChI

InChI=1S/C13H9NO6S2/c15-9(6-10(16)13(17)18)12-14-11(7-21-12)22(19,20)8-4-2-1-3-5-8/h1-7,16H,(H,17,18)/b10-6+