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

Systemtic Name: 1-[(2-bromophenyl)-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(5-ethyl-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(5-ethyl-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(5-ethyl-2-thienyl)methyl]proline Formula: C18H20BrNO2S MolecularWeight: 394.3259

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC=CC=C2Br)N3CCCC3C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC=CC=C2Br)N3CCCC3C(=O)O

InChI

InChI=1S/C18H20BrNO2S/c1-2-12-9-10-16(23-12)17(13-6-3-4-7-14(13)19)20-11-5-8-15(20)18(21)22/h3-4,6-7,9-10,15,17H,2,5,8,11H2,1H3,(H,21,22)