3-[2-oxidanylidene-2-(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-oxidanylidene-2-(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-oxo-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-oxo-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]thio]propanoic acid IUPAC Name: 3-[2-oxo-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-2-(2-keto-3H-1,3-benzoxazol-6-yl)ethyl]thio]propionic acid Formula: C12H11NO5S MolecularWeight: 281.28444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)CSCCC(=O)O)OC(=O)N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)CSCCC(=O)O)OC(=O)N2

InChI

InChI=1S/C12H11NO5S/c14-9(6-19-4-3-11(15)16)7-1-2-8-10(5-7)18-12(17)13-8/h1-2,5H,3-4,6H2,(H,13,17)(H,15,16)