ethyl 4-[[5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanylmethyl]furan-2-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanylmethyl]furan-2-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[5-[(2-chloro-6-fluoro-phenyl)methylsulfanylmethyl]furan-2-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[5-[[(2-chloro-6-fluorophenyl)methylthio]methyl]-2-furanyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(2-chloro-6-fluorophenyl)methylsulfanylmethyl]furan-2-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[5-[[(2-chloro-6-fluoro-benzyl)thio]methyl]-2-furoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H24ClFN2O4S MolecularWeight: 454.942663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC=C(O2)CSCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC=C(O2)CSCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H24ClFN2O4S/c1-2-28-21(27)25-10-8-14(9-11-25)24-20(26)19-7-6-15(29-19)12-30-13-16-17(22)4-3-5-18(16)23/h3-7,14H,2,8-13H2,1H3,(H,24,26)