(2S)-2-[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[2-[2-(3-bromophenyl)thiazol-4-yl]acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[2-(3-bromophenyl)-4-thiazolyl]-1-oxoethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[2-(3-bromophenyl)thiazol-4-yl]acetyl]amino]-3-phenyl-propionate Formula: C20H16BrN2O3S- MolecularWeight: 444.32164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)CC2=CSC(=N2)C3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=O)CC2=CSC(=N2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H17BrN2O3S/c21-15-8-4-7-14(10-15)19-22-16(12-27-19)11-18(24)23-17(20(25)26)9-13-5-2-1-3-6-13/h1-8,10,12,17H,9,11H2,(H,23,24)(H,25,26)/p-1/t17-/m0/s1