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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=C(S2)Br)C3=CC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=C(S2)Br)C3=CC4=CC=CC=C4S3)C(=O)O

InChI

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