(6-fluoranyl-8-thiophen-2-yl-3,4-dihydro-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (6-fluoranyl-8-thiophen-2-yl-3,4-dihydro-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: [6-fluoro-8-(2-thienyl)chroman-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-fluoro-8-thiophen-2-yl-3,4-dihydro-2H-1-benzopyran-2-yl)methyl ester IUPAC Name: (6-fluoro-8-thiophen-2-yl-3,4-dihydro-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-fluoro-8-(2-thienyl)chroman-2-yl]methyl ester Formula: C21H19FO4S2 MolecularWeight: 418.501563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=C(O2)C(=CC(=C3)F)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=C(O2)C(=CC(=C3)F)C4=CC=CS4

InChI

InChI=1S/C21H19FO4S2/c1-14-4-8-18(9-5-14)28(23,24)25-13-17-7-6-15-11-16(22)12-19(21(15)26-17)20-3-2-10-27-20/h2-5,8-12,17H,6-7,13H2,1H3