N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-1-(furan-2-ylcarbonyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-1-(furan-2-ylcarbonyl)pyrrolidine-2-carboxamide Openeye Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]-1-[2-furanyl(oxo)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-1-(2-furoyl)pyrrolidine-2-carboxamide Formula: C21H19FN4O4S MolecularWeight: 442.463363

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCN3C(=O)C4=CC=CO4)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCN3C(=O)C4=CC=CO4)F

InChI

InChI=1S/C21H19FN4O4S/c1-12(27)23-13-6-7-14(15(22)10-13)16-11-31-21(24-16)25-19(28)17-4-2-8-26(17)20(29)18-5-3-9-30-18/h3,5-7,9-11,17H,2,4,8H2,1H3,(H,23,27)(H,24,25,28)