tert-butyl N-[1-(4-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)-3-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-(4-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)-3-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[(4-fluorophenyl)methyl]-3-(2-furylmethylsulfanyl)-2-oxo-propyl]carbamate CAS Name: N-[1-(4-fluorophenyl)-4-(2-furanylmethylthio)-3-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(4-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)-3-oxobutan-2-yl]carbamate Traditional Name: N-[1-(4-fluorobenzyl)-3-(2-furfurylthio)-2-keto-propyl]carbamic acid tert-butyl ester Formula: C20H24FNO4S MolecularWeight: 393.472263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)F)C(=O)CSCC2=CC=CO2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)F)C(=O)CSCC2=CC=CO2

InChI

InChI=1S/C20H24FNO4S/c1-20(2,3)26-19(24)22-17(11-14-6-8-15(21)9-7-14)18(23)13-27-12-16-5-4-10-25-16/h4-10,17H,11-13H2,1-3H3,(H,22,24)