tert-butyl (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-4-methyl-pentanoate

Systemtic Name: tert-butyl (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-4-methyl-pentanoate Openeye Name: tert-butyl (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-4-methyl-pentanoate CAS Name: (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-4-methylpentanoate Traditional Name: (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-4-methyl-valeric acid tert-butyl ester Formula: C17H24N2O4S2 MolecularWeight: 384.51346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4S2/c1-11(2)10-13(15(20)23-17(3,4)5)19-25(21,22)16-18-12-8-6-7-9-14(12)24-16/h6-9,11,13,19H,10H2,1-5H3/t13-/m0/s1