[3-(hydroxymethyl)-5-methyl-4-oxidanylidene-2H-thiochromen-3-yl]methyl 2-(trifluoromethyl)benzoate

Systemtic Name: [3-(hydroxymethyl)-5-methyl-4-oxidanylidene-2H-thiochromen-3-yl]methyl 2-(trifluoromethyl)benzoate Openeye Name: [3-(hydroxymethyl)-5-methyl-4-oxo-thiochroman-3-yl]methyl 2-(trifluoromethyl)benzoate CAS Name: 2-(trifluoromethyl)benzoic acid [3-(hydroxymethyl)-5-methyl-4-oxo-2H-1-benzothiopyran-3-yl]methyl ester IUPAC Name: [3-(hydroxymethyl)-5-methyl-4-oxo-2H-thiochromen-3-yl]methyl 2-(trifluoromethyl)benzoate Traditional Name: 2-(trifluoromethyl)benzoic acid (4-keto-5-methyl-3-methylol-thiochroman-3-yl)methyl ester Formula: C20H17F3O4S MolecularWeight: 410.40679

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SCC(C2=O)(CO)COC(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1=C2C(=CC=C1)SCC(C2=O)(CO)COC(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H17F3O4S/c1-12-5-4-8-15-16(12)17(25)19(9-24,11-28-15)10-27-18(26)13-6-2-3-7-14(13)20(21,22)23/h2-8,24H,9-11H2,1H3