1-[(5-bromanyl-2-ethoxy-phenyl)-(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(5-chloro-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(5-chloro-2-thienyl)methyl]proline Formula: C18H19BrClNO3S MolecularWeight: 444.77036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC=C(S2)Cl)N3CCCC3C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC=C(S2)Cl)N3CCCC3C(=O)O

InChI

InChI=1S/C18H19BrClNO3S/c1-2-24-14-6-5-11(19)10-12(14)17(15-7-8-16(20)25-15)21-9-3-4-13(21)18(22)23/h5-8,10,13,17H,2-4,9H2,1H3,(H,22,23)