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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(2-ethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-o-phenetyl-methyl]proline Formula: C18H20BrNO3S MolecularWeight: 410.3253

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=CC=C(S2)Br)N3CCCC3C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=CC=C(S2)Br)N3CCCC3C(=O)O

InChI

InChI=1S/C18H20BrNO3S/c1-2-23-14-8-4-3-6-12(14)17(15-9-10-16(19)24-15)20-11-5-7-13(20)18(21)22/h3-4,6,8-10,13,17H,2,5,7,11H2,1H3,(H,21,22)