methyl 1-[4-(5-bromanylthiophen-2-yl)butanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[4-(5-bromanylthiophen-2-yl)butanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-(5-bromo-2-thienyl)butanoyl]piperidine-4-carboxylate CAS Name: 1-[4-(5-bromo-2-thiophenyl)-1-oxobutyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(5-bromo-2-thienyl)butanoyl]isonipecotic acid methyl ester Formula: C15H20BrNO3S MolecularWeight: 374.2932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CCCC2=CC=C(S2)Br

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CCCC2=CC=C(S2)Br

InChI

InChI=1S/C15H20BrNO3S/c1-20-15(19)11-7-9-17(10-8-11)14(18)4-2-3-12-5-6-13(16)21-12/h5-6,11H,2-4,7-10H2,1H3