1-[1,3-benzothiazol-2-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(4-benzyloxy-3-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(4-benzoxy-3-methoxy-phenyl)methyl]proline Formula: C27H26N2O4S MolecularWeight: 474.57134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=NC3=CC=CC=C3S2)N4CCCC4C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=NC3=CC=CC=C3S2)N4CCCC4C(=O)O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H26N2O4S/c1-32-23-16-19(13-14-22(23)33-17-18-8-3-2-4-9-18)25(29-15-7-11-21(29)27(30)31)26-28-20-10-5-6-12-24(20)34-26/h2-6,8-10,12-14,16,21,25H,7,11,15,17H2,1H3,(H,30,31)