(2-chloranyl-4-cyano-6-ethoxy-phenyl) 1-thiophen-3-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: (2-chloranyl-4-cyano-6-ethoxy-phenyl) 1-thiophen-3-ylcarbonylpiperidine-4-carboxylate Openeye Name: (2-chloro-4-cyano-6-ethoxy-phenyl) 1-(thiophene-3-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(3-thiophenyl)methyl]-4-piperidinecarboxylic acid (2-chloro-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-chloro-4-cyano-6-ethoxyphenyl) 1-(thiophene-3-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(3-thenoyl)isonipecotic acid (2-chloro-4-cyano-6-ethoxy-phenyl) ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Cl)OC(=O)C2CCN(CC2)C(=O)C3=CSC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Cl)OC(=O)C2CCN(CC2)C(=O)C3=CSC=C3

InChI

InChI=1S/C20H19ClN2O4S/c1-2-26-17-10-13(11-22)9-16(21)18(17)27-20(25)14-3-6-23(7-4-14)19(24)15-5-8-28-12-15/h5,8-10,12,14H,2-4,6-7H2,1H3