[8-(5-bromanylthiophen-2-yl)-6-fluoranyl-3,4-dihydro-2H-chromen-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [8-(5-bromanylthiophen-2-yl)-6-fluoranyl-3,4-dihydro-2H-chromen-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [8-(5-bromo-2-thienyl)-6-fluoro-chroman-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [8-(5-bromo-2-thiophenyl)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]methyl ester IUPAC Name: [8-(5-bromothiophen-2-yl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [8-(5-bromo-2-thienyl)-6-fluoro-chroman-2-yl]methyl ester Formula: C21H18BrFO4S2 MolecularWeight: 497.397623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=C(O2)C(=CC(=C3)F)C4=CC=C(S4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=C(O2)C(=CC(=C3)F)C4=CC=C(S4)Br

InChI

InChI=1S/C21H18BrFO4S2/c1-13-2-6-17(7-3-13)29(24,25)26-12-16-5-4-14-10-15(23)11-18(21(14)27-16)19-8-9-20(22)28-19/h2-3,6-11,16H,4-5,12H2,1H3