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

Systemtic Name: (2S)-2-[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[[2-[2-(3-bromophenyl)thiazol-4-yl]acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[2-(3-bromophenyl)-4-thiazolyl]-1-oxoethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[2-(3-bromophenyl)thiazol-4-yl]acetyl]amino]-3-methyl-butyrate Formula: C16H16BrN2O3S- MolecularWeight: 396.27884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)CC1=CSC(=N1)C2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)CC1=CSC(=N1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C16H17BrN2O3S/c1-9(2)14(16(21)22)19-13(20)7-12-8-23-15(18-12)10-4-3-5-11(17)6-10/h3-6,8-9,14H,7H2,1-2H3,(H,19,20)(H,21,22)/p-1/t14-/m0/s1