(2R,5R)-1-(4-bromanylthiophen-2-yl)carbonyl-5-phenyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2R,5R)-1-(4-bromanylthiophen-2-yl)carbonyl-5-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: (2R,5R)-1-(4-bromothiophene-2-carbonyl)-5-phenyl-pyrrolidine-2-carboxylic acid CAS Name: (2R,5R)-1-[(4-bromo-2-thiophenyl)-oxomethyl]-5-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: (2R,5R)-1-(4-bromothiophene-2-carbonyl)-5-phenylpyrrolidine-2-carboxylic acid Traditional Name: (2R,5R)-1-(4-bromothiophene-2-carbonyl)-5-phenyl-proline Formula: C16H14BrNO3S MolecularWeight: 380.25626

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1C2=CC=CC=C2)C(=O)C3=CC(=CS3)Br)C(=O)O

Isomeric SMILES

C1C[C@@H](N([C@H]1C2=CC=CC=C2)C(=O)C3=CC(=CS3)Br)C(=O)O

InChI

InChI=1S/C16H14BrNO3S/c17-11-8-14(22-9-11)15(19)18-12(6-7-13(18)16(20)21)10-4-2-1-3-5-10/h1-5,8-9,12-13H,6-7H2,(H,20,21)/t12-,13-/m1/s1