methyl (2S)-3-oxidanyl-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoate

Systemtic Name: methyl (2S)-3-oxidanyl-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoate Openeye Name: methyl (2S)-3-hydroxy-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoate CAS Name: (2S)-3-hydroxy-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoate Traditional Name: (2S)-3-hydroxy-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionic acid methyl ester Formula: C11H11NO6S MolecularWeight: 285.27314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)N1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

COC(=O)[C@H](CO)N1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C11H11NO6S/c1-18-11(15)8(6-13)12-10(14)7-4-2-3-5-9(7)19(12,16)17/h2-5,8,13H,6H2,1H3/t8-/m0/s1