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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(3,4-diethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(3,4-diethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(3,4-diethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(3,4-diethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(3,4-diethoxyphenyl)methyl]proline Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCC4C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCC4C(=O)O)OCC

InChI

InChI=1S/C23H26N2O4S/c1-3-28-18-12-11-15(14-19(18)29-4-2)21(25-13-7-9-17(25)23(26)27)22-24-16-8-5-6-10-20(16)30-22/h5-6,8,10-12,14,17,21H,3-4,7,9,13H2,1-2H3,(H,26,27)