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

Systemtic Name: (2S)-2-[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-[2-(3-bromophenyl)thiazol-4-yl]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[2-(3-bromophenyl)-4-thiazolyl]-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-[2-(3-bromophenyl)thiazol-4-yl]acetyl]amino]-4-(methylthio)butyrate Formula: C16H16BrN2O3S2- MolecularWeight: 428.34384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2O3S2/c1-23-6-5-13(16(21)22)19-14(20)8-12-9-24-15(18-12)10-3-2-4-11(17)7-10/h2-4,7,9,13H,5-6,8H2,1H3,(H,19,20)(H,21,22)/p-1/t13-/m0/s1