ethyl 1-[(5-bromanylfuran-2-yl)carbonylcarbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(5-bromanylfuran-2-yl)carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(5-bromofuran-2-carbonyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[(5-bromo-2-furanyl)-oxomethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-bromofuran-2-carbonyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(5-bromo-2-furoyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C14H17BrN2O4S MolecularWeight: 389.26478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C14H17BrN2O4S/c1-2-20-13(19)9-5-7-17(8-6-9)14(22)16-12(18)10-3-4-11(15)21-10/h3-4,9H,2,5-8H2,1H3,(H,16,18,22)