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

Systemtic Name: 1-[1-benzothiophen-3-yl-(2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl(o-tolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(2-methylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl(o-tolyl)methyl]proline Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O

InChI

InChI=1S/C21H21NO2S/c1-14-7-2-3-8-15(14)20(22-12-6-10-18(22)21(23)24)17-13-25-19-11-5-4-9-16(17)19/h2-5,7-9,11,13,18,20H,6,10,12H2,1H3,(H,23,24)