1-[(5-bromanylthiophen-2-yl)-(3-methylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-methylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(3-methyl-2-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-methyl-2-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-methylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(3-methyl-2-pyridyl)methyl]proline Formula: C16H17BrN2O2S MolecularWeight: 381.28738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C(C2=CC=C(S2)Br)N3CCCC3C(=O)O

Isomeric SMILES

CC1=C(N=CC=C1)C(C2=CC=C(S2)Br)N3CCCC3C(=O)O

InChI

InChI=1S/C16H17BrN2O2S/c1-10-4-2-8-18-14(10)15(12-6-7-13(17)22-12)19-9-3-5-11(19)16(20)21/h2,4,6-8,11,15H,3,5,9H2,1H3,(H,20,21)