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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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