3-[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]-2-phenyl-propanoic acid

Systemtic Name: 3-[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]-2-phenyl-propanoic acid Openeye Name: 3-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-phenyl-propanoic acid CAS Name: 3-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-phenylpropanoic acid IUPAC Name: 3-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-phenylpropanoic acid Traditional Name: 3-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-phenyl-propionic acid Formula: C16H11Cl2NO2S MolecularWeight: 352.23504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC2=NC3=C(S2)C=CC(=C3Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC2=NC3=C(S2)C=CC(=C3Cl)Cl)C(=O)O

InChI

InChI=1S/C16H11Cl2NO2S/c17-11-6-7-12-15(14(11)18)19-13(22-12)8-10(16(20)21)9-4-2-1-3-5-9/h1-7,10H,8H2,(H,20,21)