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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(2,3,4-trimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(2,3,4-trimethoxyphenyl)methyl]proline Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S/c1-27-16-11-10-13(19(28-2)20(16)29-3)18(24-12-6-8-15(24)22(25)26)21-23-14-7-4-5-9-17(14)30-21/h4-5,7,9-11,15,18H,6,8,12H2,1-3H3,(H,25,26)