methyl (2S)-4-methylsulfanyl-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoate CAS Name: (2S)-4-(methylthio)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoate Traditional Name: (2S)-4-(methylthio)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)butyric acid methyl ester Formula: C13H15NO5S2 MolecularWeight: 329.3919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5S2/c1-19-13(16)10(7-8-20-2)14-12(15)9-5-3-4-6-11(9)21(14,17)18/h3-6,10H,7-8H2,1-2H3/t10-/m0/s1