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

Systemtic Name: 1-[1,3-benzothiazol-2-yl(naphthalen-1-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl(1-naphthyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl(1-naphthalenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl(naphthalen-1-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl(1-naphthyl)methyl]proline Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=CC3=CC=CC=C32)C4=NC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=CC3=CC=CC=C32)C4=NC5=CC=CC=C5S4)C(=O)O

InChI

InChI=1S/C23H20N2O2S/c26-23(27)19-12-6-14-25(19)21(22-24-18-11-3-4-13-20(18)28-22)17-10-5-8-15-7-1-2-9-16(15)17/h1-5,7-11,13,19,21H,6,12,14H2,(H,26,27)