1-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(5-ethyl-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(5-ethyl-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-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=C(C=C2)Br)N3CCCC3C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO2S/c1-2-14-9-10-16(23-14)17(12-5-7-13(19)8-6-12)20-11-3-4-15(20)18(21)22/h5-10,15,17H,2-4,11H2,1H3,(H,21,22)