1-(2-chloroethyl)-6-methoxy-7-(trifluoromethyl)-1H-isothiochromene

Systemtic Name: 1-(2-chloroethyl)-6-methoxy-7-(trifluoromethyl)-1H-isothiochromene Openeye Name: 1-(2-chloroethyl)-6-methoxy-7-(trifluoromethyl)-1H-isothiochromene CAS Name: 1-(2-chloroethyl)-6-methoxy-7-(trifluoromethyl)-1H-2-benzothiopyran IUPAC Name: 1-(2-chloroethyl)-6-methoxy-7-(trifluoromethyl)-1H-isothiochromene Traditional Name: 1-(2-chloroethyl)-6-methoxy-7-(trifluoromethyl)-1H-isothiochromene Formula: C13H12ClF3OS MolecularWeight: 308.74699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(SC=CC2=C1)CCCl)C(F)(F)F

Isomeric SMILES

COC1=C(C=C2C(SC=CC2=C1)CCCl)C(F)(F)F

InChI

InChI=1S/C13H12ClF3OS/c1-18-11-6-8-3-5-19-12(2-4-14)9(8)7-10(11)13(15,16)17/h3,5-7,12H,2,4H2,1H3