1-[1-benzothiophen-3-yl-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(5-ethyl-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(5-ethyl-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(5-ethyl-2-thienyl)methyl]proline Formula: C20H21NO2S2 MolecularWeight: 371.51624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O

InChI

InChI=1S/C20H21NO2S2/c1-2-13-9-10-18(25-13)19(21-11-5-7-16(21)20(22)23)15-12-24-17-8-4-3-6-14(15)17/h3-4,6,8-10,12,16,19H,2,5,7,11H2,1H3,(H,22,23)