(3R)-N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: (3R)-N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3R)-N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: (3R)-N-[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3R)-N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-1-keto-3-methyl-isochroman-3-carboxamide Formula: C22H18FN3O4S MolecularWeight: 439.459423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3(CC4=CC=CC=C4C(=O)O3)C)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)[C@]3(CC4=CC=CC=C4C(=O)O3)C)F

InChI

InChI=1S/C22H18FN3O4S/c1-12(27)24-14-7-8-16(17(23)9-14)18-11-31-21(25-18)26-20(29)22(2)10-13-5-3-4-6-15(13)19(28)30-22/h3-9,11H,10H2,1-2H3,(H,24,27)(H,25,26,29)/t22-/m1/s1