tert-butyl (2S)-2-[1,3-benzothiazol-2-ylsulfonyl(methyl)amino]-3-methyl-butanoate

Systemtic Name: tert-butyl (2S)-2-[1,3-benzothiazol-2-ylsulfonyl(methyl)amino]-3-methyl-butanoate Openeye Name: tert-butyl (2S)-2-[1,3-benzothiazol-2-ylsulfonyl(methyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[1,3-benzothiazol-2-ylsulfonyl(methyl)amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[1,3-benzothiazol-2-ylsulfonyl(methyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[1,3-benzothiazol-2-ylsulfonyl(methyl)amino]-3-methyl-butyric acid tert-butyl ester Formula: C17H24N2O4S2 MolecularWeight: 384.51346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)(C)C)N(C)S(=O)(=O)C1=NC2=CC=CC=C2S1

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4S2/c1-11(2)14(15(20)23-17(3,4)5)19(6)25(21,22)16-18-12-9-7-8-10-13(12)24-16/h7-11,14H,1-6H3/t14-/m0/s1