2-(1,3-benzothiazol-2-ylamino)-3-(4-bromophenyl)propanoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-3-(4-bromophenyl)propanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-3-(4-bromophenyl)propanoic acid CAS Name: 2-(1,3-benzothiazol-2-ylamino)-3-(4-bromophenyl)propanoic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-3-(4-bromophenyl)propanoic acid Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-3-(4-bromophenyl)propionic acid Formula: C16H13BrN2O2S MolecularWeight: 377.25562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(CC3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(CC3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C16H13BrN2O2S/c17-11-7-5-10(6-8-11)9-13(15(20)21)19-16-18-12-3-1-2-4-14(12)22-16/h1-8,13H,9H2,(H,18,19)(H,20,21)