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

Systemtic Name: 6-bromanyl-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: 6-bromo-N-[5-[(4-fluorophenyl)methyl]thiazol-2-yl]-1-oxo-isochromane-3-carboxamide CAS Name: 6-bromo-N-[5-[(4-fluorophenyl)methyl]-2-thiazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 6-bromo-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: 6-bromo-N-[5-(4-fluorobenzyl)thiazol-2-yl]-1-keto-isochroman-3-carboxamide Formula: C20H14BrFN2O3S MolecularWeight: 461.304163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=C1C=C(C=C2)Br)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)F

Isomeric SMILES

C1C(OC(=O)C2=C1C=C(C=C2)Br)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C20H14BrFN2O3S/c21-13-3-6-16-12(8-13)9-17(27-19(16)26)18(25)24-20-23-10-15(28-20)7-11-1-4-14(22)5-2-11/h1-6,8,10,17H,7,9H2,(H,23,24,25)