tert-butyl (2S)-2-[1,3-benzothiazol-2-ylsulfonyl(methyl)amino]-4-methyl-pentanoate

Systemtic Name: tert-butyl (2S)-2-[1,3-benzothiazol-2-ylsulfonyl(methyl)amino]-4-methyl-pentanoate Openeye Name: tert-butyl (2S)-2-[1,3-benzothiazol-2-ylsulfonyl(methyl)amino]-4-methyl-pentanoate CAS Name: (2S)-2-[1,3-benzothiazol-2-ylsulfonyl(methyl)amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[1,3-benzothiazol-2-ylsulfonyl(methyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[1,3-benzothiazol-2-ylsulfonyl(methyl)amino]-4-methyl-valeric acid tert-butyl ester Formula: C18H26N2O4S2 MolecularWeight: 398.54004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4S2/c1-12(2)11-14(16(21)24-18(3,4)5)20(6)26(22,23)17-19-13-9-7-8-10-15(13)25-17/h7-10,12,14H,11H2,1-6H3/t14-/m0/s1