(2-ethyl-1,3-thiazol-4-yl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: (2-ethyl-1,3-thiazol-4-yl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (2-ethylthiazol-4-yl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoic acid (2-ethyl-4-thiazolyl)methyl ester IUPAC Name: (2-ethyl-1,3-thiazol-4-yl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-(brosylamino)-3-methyl-butyric acid (2-ethylthiazol-4-yl)methyl ester Formula: C17H21BrN2O4S2 MolecularWeight: 461.39364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)COC(=O)C(C(C)C)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCC1=NC(=CS1)COC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H21BrN2O4S2/c1-4-15-19-13(10-25-15)9-24-17(21)16(11(2)3)20-26(22,23)14-7-5-12(18)6-8-14/h5-8,10-11,16,20H,4,9H2,1-3H3/t16-/m0/s1