6-fluoranyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: 6-fluoranyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: 6-fluoro-1-oxo-N-[5-(p-tolylmethyl)thiazol-2-yl]isochromane-3-carboxamide CAS Name: 6-fluoro-N-[5-[(4-methylphenyl)methyl]-2-thiazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 6-fluoro-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: 6-fluoro-1-keto-N-[5-(4-methylbenzyl)thiazol-2-yl]isochroman-3-carboxamide Formula: C21H17FN2O3S MolecularWeight: 396.434683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3CC4=C(C=CC(=C4)F)C(=O)O3

Isomeric SMILES

CC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3CC4=C(C=CC(=C4)F)C(=O)O3

InChI

InChI=1S/C21H17FN2O3S/c1-12-2-4-13(5-3-12)8-16-11-23-21(28-16)24-19(25)18-10-14-9-15(22)6-7-17(14)20(26)27-18/h2-7,9,11,18H,8,10H2,1H3,(H,23,24,25)