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

Systemtic Name: 1-[1-benzothiophen-2-yl-(2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl(o-tolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(2-methylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-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=CC3=CC=CC=C3S2)N4CCCC4C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC3=CC=CC=C3S2)N4CCCC4C(=O)O

InChI

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