1-[1,3-benzodioxol-5-yl(1,3-benzothiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl(1,3-benzothiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(1,3-benzothiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(1,3-benzothiazol-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(1,3-benzothiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(1,3-benzothiazol-2-yl)methyl]proline Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4)C(=O)O

InChI

InChI=1S/C20H18N2O4S/c23-20(24)14-5-3-9-22(14)18(12-7-8-15-16(10-12)26-11-25-15)19-21-13-4-1-2-6-17(13)27-19/h1-2,4,6-8,10,14,18H,3,5,9,11H2,(H,23,24)