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

Systemtic Name: 1-[1-benzothiophen-3-yl-(5-bromanylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(5-bromo-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(5-bromo-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(5-bromothiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(5-bromo-2-thienyl)methyl]proline Formula: C18H16BrNO2S2 MolecularWeight: 422.35914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=C(S2)Br)C3=CSC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=C(S2)Br)C3=CSC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C18H16BrNO2S2/c19-16-8-7-15(24-16)17(20-9-3-5-13(20)18(21)22)12-10-23-14-6-2-1-4-11(12)14/h1-2,4,6-8,10,13,17H,3,5,9H2,(H,21,22)