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

Systemtic Name: 1-[1-benzothiophen-2-yl-(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(2,3,4-trimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(2,3,4-trimethoxyphenyl)methyl]proline Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC4C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC4C(=O)O)OC)OC

InChI

InChI=1S/C23H25NO5S/c1-27-17-11-10-15(21(28-2)22(17)29-3)20(24-12-6-8-16(24)23(25)26)19-13-14-7-4-5-9-18(14)30-19/h4-5,7,9-11,13,16,20H,6,8,12H2,1-3H3,(H,25,26)