(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 1-(furan-2-ylcarbonyl)piperidine-4-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 1-(furan-2-ylcarbonyl)piperidine-4-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[2-furanyl(oxo)methyl]-4-piperidinecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-furoyl)isonipecotic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C20H21N3O6S/c1-2-27-20(26)16-14(13(10-21)17(22)30-16)11-29-19(25)12-5-7-23(8-6-12)18(24)15-4-3-9-28-15/h3-4,9,12H,2,5-8,11,22H2,1H3