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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(m-tolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-methylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(m-tolyl)methyl]proline Formula: C17H18BrNO2S MolecularWeight: 380.29932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO2S/c1-11-4-2-5-12(10-11)16(14-7-8-15(18)22-14)19-9-3-6-13(19)17(20)21/h2,4-5,7-8,10,13,16H,3,6,9H2,1H3,(H,20,21)