1-(5-bromanylthiophen-3-yl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(5-bromanylthiophen-3-yl)carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(5-bromothiophene-3-carbonyl)piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-3-thiophenyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(5-bromothiophene-3-carbonyl)piperidine-3-carboxylic acid Traditional Name: 1-(5-bromothiophene-3-carbonyl)nipecotic acid Formula: C11H12BrNO3S MolecularWeight: 318.18688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CSC(=C2)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CSC(=C2)Br)C(=O)O

InChI

InChI=1S/C11H12BrNO3S/c12-9-4-8(6-17-9)10(14)13-3-1-2-7(5-13)11(15)16/h4,6-7H,1-3,5H2,(H,15,16)