1-[1-benzothiophen-3-yl-(3-ethoxy-4-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-ethoxy-4-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(3-ethoxy-4-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3-ethoxy-4-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3-ethoxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(3-ethoxy-4-methoxy-phenyl)methyl]proline Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO4S/c1-3-28-20-13-15(10-11-19(20)27-2)22(24-12-6-8-18(24)23(25)26)17-14-29-21-9-5-4-7-16(17)21/h4-5,7,9-11,13-14,18,22H,3,6,8,12H2,1-2H3,(H,25,26)