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

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (2-phenylthiazol-4-yl)methyl (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid (2-phenylthiazol-4-yl)methyl ester Formula: C22H21BrN2O3S MolecularWeight: 473.38274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CSC(=N1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CSC(=N1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C22H21BrN2O3S/c1-14(2)19(25-20(26)17-10-6-7-11-18(17)23)22(27)28-12-16-13-29-21(24-16)15-8-4-3-5-9-15/h3-11,13-14,19H,12H2,1-2H3,(H,25,26)/t19-/m0/s1