N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxamide

Systemtic Name: N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxamide Openeye Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxamide CAS Name: N-[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]-4-cyano-2-methyl-5-(1-pyrrolyl)-3-furancarboxamide IUPAC Name: N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide Traditional Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-4-cyano-2-methyl-5-pyrrol-1-yl-3-furamide Formula: C22H16FN5O3S MolecularWeight: 449.457543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)NC3=NC(=CS3)C4=C(C=C(C=C4)NC(=O)C)F

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)NC3=NC(=CS3)C4=C(C=C(C=C4)NC(=O)C)F

InChI

InChI=1S/C22H16FN5O3S/c1-12-19(16(10-24)21(31-12)28-7-3-4-8-28)20(30)27-22-26-18(11-32-22)15-6-5-14(9-17(15)23)25-13(2)29/h3-9,11H,1-2H3,(H,25,29)(H,26,27,30)