(3S)-1-(5-bromanylthiophen-2-yl)carbonylpiperidine-3-carboxylate

Systemtic Name: (3S)-1-(5-bromanylthiophen-2-yl)carbonylpiperidine-3-carboxylate Openeye Name: (3S)-1-(5-bromothiophene-2-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(5-bromo-2-thiophenyl)-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-(5-bromothiophene-2-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(5-bromothiophene-2-carbonyl)nipecotate Formula: C11H11BrNO3S- MolecularWeight: 317.17894

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(S2)Br)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(S2)Br)C(=O)[O-]

InChI

InChI=1S/C11H12BrNO3S/c12-9-4-3-8(17-9)10(14)13-5-1-2-7(6-13)11(15)16/h3-4,7H,1-2,5-6H2,(H,15,16)/p-1/t7-/m0/s1