tert-butyl 2-[[4-(4-fluorophenyl)-5-oxidanylidene-3-thiophen-2-yl-2H-furan-2-yl]carbonylamino]propanoate

Systemtic Name: tert-butyl 2-[[4-(4-fluorophenyl)-5-oxidanylidene-3-thiophen-2-yl-2H-furan-2-yl]carbonylamino]propanoate Openeye Name: tert-butyl 2-[[4-(4-fluorophenyl)-5-oxo-3-(2-thienyl)-2H-furan-2-carbonyl]amino]propanoate CAS Name: 2-[[[4-(4-fluorophenyl)-5-oxo-3-thiophen-2-yl-2H-furan-2-yl]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(4-fluorophenyl)-5-oxo-3-thiophen-2-yl-2H-furan-2-carbonyl]amino]propanoate Traditional Name: 2-[[4-(4-fluorophenyl)-5-keto-3-(2-thienyl)-2H-furan-2-carbonyl]amino]propionic acid tert-butyl ester Formula: C22H22FNO5S MolecularWeight: 431.477183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)C)NC(=O)C1C(=C(C(=O)O1)C2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

CC(C(=O)OC(C)(C)C)NC(=O)C1C(=C(C(=O)O1)C2=CC=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C22H22FNO5S/c1-12(20(26)29-22(2,3)4)24-19(25)18-17(15-6-5-11-30-15)16(21(27)28-18)13-7-9-14(23)10-8-13/h5-12,18H,1-4H3,(H,24,25)