(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-thiophen-3-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-thiophen-3-ylcarbonylpiperidine-4-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(thiophene-3-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(3-thiophenyl)methyl]-4-piperidinecarboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(thiophene-3-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(3-thenoyl)isonipecotic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H20ClNO5S MolecularWeight: 421.8945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)C(=O)C4=CSC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)C(=O)C4=CSC=C4

InChI

InChI=1S/C20H20ClNO5S/c21-16-9-13(10-17-18(16)26-7-6-25-17)11-27-20(24)14-1-4-22(5-2-14)19(23)15-3-8-28-12-15/h3,8-10,12,14H,1-2,4-7,11H2