1-[1,3-benzothiazol-2-yl-(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(2-benzyloxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(2-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(2-benzoxyphenyl)methyl]proline Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4)C(=O)O

InChI

InChI=1S/C26H24N2O3S/c29-26(30)21-13-8-16-28(21)24(25-27-20-12-5-7-15-23(20)32-25)19-11-4-6-14-22(19)31-17-18-9-2-1-3-10-18/h1-7,9-12,14-15,21,24H,8,13,16-17H2,(H,29,30)