methyl 1-[5-(3-bromanylthiophen-2-yl)-3-cyano-1H-pyrrol-2-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[5-(3-bromanylthiophen-2-yl)-3-cyano-1H-pyrrol-2-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-(3-bromo-2-thienyl)-3-cyano-1H-pyrrol-2-yl]piperidine-4-carboxylate CAS Name: 1-[5-(3-bromo-2-thiophenyl)-3-cyano-1H-pyrrol-2-yl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-(3-bromothiophen-2-yl)-3-cyano-1H-pyrrol-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(3-bromo-2-thienyl)-3-cyano-1H-pyrrol-2-yl]isonipecotic acid methyl ester Formula: C16H16BrN3O2S MolecularWeight: 394.28614

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C=C(N2)C3=C(C=CS3)Br)C#N

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C=C(N2)C3=C(C=CS3)Br)C#N

InChI

InChI=1S/C16H16BrN3O2S/c1-22-16(21)10-2-5-20(6-3-10)15-11(9-18)8-13(19-15)14-12(17)4-7-23-14/h4,7-8,10,19H,2-3,5-6H2,1H3