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

Systemtic Name: (3R)-N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3R)-N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-1-oxo-isochromane-3-carboxamide CAS Name: (3R)-N-[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3R)-N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-1-keto-isochroman-3-carboxamide Formula: C21H16FN3O4S MolecularWeight: 425.432843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3CC4=CC=CC=C4C(=O)O3)F

Isomeric SMILES

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

InChI

InChI=1S/C21H16FN3O4S/c1-11(26)23-13-6-7-15(16(22)9-13)17-10-30-21(24-17)25-19(27)18-8-12-4-2-3-5-14(12)20(28)29-18/h2-7,9-10,18H,8H2,1H3,(H,23,26)(H,24,25,27)/t18-/m1/s1