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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethoxyphenyl)methyl]proline Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-26-13-9-10-14(17(12-13)27-2)19(23-11-5-7-16(23)21(24)25)20-22-15-6-3-4-8-18(15)28-20/h3-4,6,8-10,12,16,19H,5,7,11H2,1-2H3,(H,24,25)