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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3,4-diethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(3,4-diethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3,4-diethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3,4-diethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(3,4-diethoxyphenyl)methyl]proline Formula: C24H27NO4S MolecularWeight: 425.54048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O)OCC

InChI

InChI=1S/C24H27NO4S/c1-3-28-20-12-11-16(14-21(20)29-4-2)23(25-13-7-9-19(25)24(26)27)18-15-30-22-10-6-5-8-17(18)22/h5-6,8,10-12,14-15,19,23H,3-4,7,9,13H2,1-2H3,(H,26,27)