1-[1-benzothiophen-3-yl-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(2-ethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl(o-phenetyl)methyl]proline Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O

InChI

InChI=1S/C22H23NO3S/c1-2-26-19-11-5-3-9-16(19)21(23-13-7-10-18(23)22(24)25)17-14-27-20-12-6-4-8-15(17)20/h3-6,8-9,11-12,14,18,21H,2,7,10,13H2,1H3,(H,24,25)