ethyl 3-[[2,4-bis(fluoranyl)phenyl]methyl]-1-thiophen-3-ylcarbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl 3-[[2,4-bis(fluoranyl)phenyl]methyl]-1-thiophen-3-ylcarbonyl-piperidine-3-carboxylate Openeye Name: ethyl 3-[(2,4-difluorophenyl)methyl]-1-(thiophene-3-carbonyl)piperidine-3-carboxylate CAS Name: 3-[(2,4-difluorophenyl)methyl]-1-[oxo(3-thiophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2,4-difluorophenyl)methyl]-1-(thiophene-3-carbonyl)piperidine-3-carboxylate Traditional Name: 3-(2,4-difluorobenzyl)-1-(3-thenoyl)nipecotic acid ethyl ester Formula: C20H21F2NO3S MolecularWeight: 393.447446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CSC=C2)CC3=C(C=C(C=C3)F)F

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CSC=C2)CC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C20H21F2NO3S/c1-2-26-19(25)20(11-14-4-5-16(21)10-17(14)22)7-3-8-23(13-20)18(24)15-6-9-27-12-15/h4-6,9-10,12H,2-3,7-8,11,13H2,1H3