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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(4-phenylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(4-phenylphenyl)methyl]proline Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O2S/c28-25(29)21-10-6-16-27(21)23(24-26-20-9-4-5-11-22(20)30-24)19-14-12-18(13-15-19)17-7-2-1-3-8-17/h1-5,7-9,11-15,21,23H,6,10,16H2,(H,28,29)