(2S)-3-methyl-2-(3-oxidanylidene-1,2-benzothiazol-2-yl)butanoate

Systemtic Name: (2S)-3-methyl-2-(3-oxidanylidene-1,2-benzothiazol-2-yl)butanoate Openeye Name: (2S)-3-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)butanoate CAS Name: (2S)-3-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)butanoate IUPAC Name: (2S)-3-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)butanoate Traditional Name: (2S)-2-(3-keto-1,2-benzothiazol-2-yl)-3-methyl-butyrate Formula: C12H12NO3S- MolecularWeight: 250.29358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])N1C(=O)C2=CC=CC=C2S1

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3S/c1-7(2)10(12(15)16)13-11(14)8-5-3-4-6-9(8)17-13/h3-7,10H,1-2H3,(H,15,16)/p-1/t10-/m0/s1