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

Systemtic Name: N-[4-(3-fluoranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[4-(3-fluoro-4-methoxyphenyl)-2-thiazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]-1-keto-isochroman-3-carboxamide Formula: C20H15FN2O4S MolecularWeight: 398.407503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3CC4=CC=CC=C4C(=O)O3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3CC4=CC=CC=C4C(=O)O3)F

InChI

InChI=1S/C20H15FN2O4S/c1-26-16-7-6-12(8-14(16)21)15-10-28-20(22-15)23-18(24)17-9-11-4-2-3-5-13(11)19(25)27-17/h2-8,10,17H,9H2,1H3,(H,22,23,24)