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

Systemtic Name: methyl 1-[5-(3-bromanylthiophen-2-yl)-3-methoxycarbonyl-1H-pyrrol-2-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-(3-bromo-2-thienyl)-3-methoxycarbonyl-1H-pyrrol-2-yl]piperidine-4-carboxylate CAS Name: 1-[5-(3-bromo-2-thiophenyl)-3-methoxycarbonyl-1H-pyrrol-2-yl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-(3-bromothiophen-2-yl)-3-methoxycarbonyl-1H-pyrrol-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(3-bromo-2-thienyl)-3-carbomethoxy-1H-pyrrol-2-yl]isonipecotic acid methyl ester Formula: C17H19BrN2O4S MolecularWeight: 427.31276

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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(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2O4S/c1-23-16(21)10-3-6-20(7-4-10)15-11(17(22)24-2)9-13(19-15)14-12(18)5-8-25-14/h5,8-10,19H,3-4,6-7H2,1-2H3