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

Systemtic Name: ethyl (2S)-3-methyl-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]butanoate Openeye Name: ethyl (2S)-3-methyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoate CAS Name: (2S)-3-methyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-methyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoate Traditional Name: (2S)-3-methyl-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)butyric acid ethyl ester Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)N1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5S/c1-4-20-14(17)12(9(2)3)15-13(16)10-7-5-6-8-11(10)21(15,18)19/h5-9,12H,4H2,1-3H3/t12-/m0/s1