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

Systemtic Name: methyl 1-[5-(3-bromanylthiophen-2-yl)-3-ethoxycarbonyl-1H-pyrrol-2-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-(3-bromo-2-thienyl)-3-ethoxycarbonyl-1H-pyrrol-2-yl]piperidine-4-carboxylate CAS Name: 1-[5-(3-bromo-2-thiophenyl)-3-ethoxycarbonyl-1H-pyrrol-2-yl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-(3-bromothiophen-2-yl)-3-ethoxycarbonyl-1H-pyrrol-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(3-bromo-2-thienyl)-3-carbethoxy-1H-pyrrol-2-yl]isonipecotic acid methyl ester Formula: C18H21BrN2O4S MolecularWeight: 441.33934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1)C2=C(C=CS2)Br)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1)C2=C(C=CS2)Br)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C18H21BrN2O4S/c1-3-25-18(23)12-10-14(15-13(19)6-9-26-15)20-16(12)21-7-4-11(5-8-21)17(22)24-2/h6,9-11,20H,3-5,7-8H2,1-2H3