tert-butyl (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)propanoate

Systemtic Name: tert-butyl (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)propanoate Openeye Name: tert-butyl (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)propanoate CAS Name: (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)propanoate Traditional Name: (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)propionic acid tert-butyl ester Formula: C14H18N2O4S2 MolecularWeight: 342.43372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)C)NS(=O)(=O)C1=NC2=CC=CC=C2S1

Isomeric SMILES

C[C@@H](C(=O)OC(C)(C)C)NS(=O)(=O)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C14H18N2O4S2/c1-9(12(17)20-14(2,3)4)16-22(18,19)13-15-10-7-5-6-8-11(10)21-13/h5-9,16H,1-4H3/t9-/m0/s1