4-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[2-(3-bromophenyl)thiazol-4-yl]acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[2-(3-bromophenyl)-4-thiazolyl]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[2-(3-bromophenyl)thiazol-4-yl]acetyl]amino]methyl]benzoic acid Formula: C19H15BrN2O3S MolecularWeight: 431.303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NC(=CS2)CC(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NC(=CS2)CC(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H15BrN2O3S/c20-15-3-1-2-14(8-15)18-22-16(11-26-18)9-17(23)21-10-12-4-6-13(7-5-12)19(24)25/h1-8,11H,9-10H2,(H,21,23)(H,24,25)