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

Systemtic Name: (2-ethyl-1,3-thiazol-4-yl)methyl (2S)-2-[(2-bromophenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: (2-ethylthiazol-4-yl)methyl (2S)-2-[(2-bromobenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid (2-ethyl-4-thiazolyl)methyl ester IUPAC Name: (2-ethyl-1,3-thiazol-4-yl)methyl (2S)-2-[(2-bromobenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-4-mesyl-butyric acid (2-ethylthiazol-4-yl)methyl ester Formula: C18H21BrN2O5S2 MolecularWeight: 489.40374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)COC(=O)C(CCS(=O)(=O)C)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CCC1=NC(=CS1)COC(=O)[C@H](CCS(=O)(=O)C)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C18H21BrN2O5S2/c1-3-16-20-12(11-27-16)10-26-18(23)15(8-9-28(2,24)25)21-17(22)13-6-4-5-7-14(13)19/h4-7,11,15H,3,8-10H2,1-2H3,(H,21,22)/t15-/m0/s1