[8-chloranyl-3-(hydroxymethyl)-6-methoxy-4-oxidanylidene-2H-thiochromen-3-yl]methyl 2-(trifluoromethyl)benzoate

Systemtic Name: [8-chloranyl-3-(hydroxymethyl)-6-methoxy-4-oxidanylidene-2H-thiochromen-3-yl]methyl 2-(trifluoromethyl)benzoate Openeye Name: [8-chloro-3-(hydroxymethyl)-6-methoxy-4-oxo-thiochroman-3-yl]methyl 2-(trifluoromethyl)benzoate CAS Name: 2-(trifluoromethyl)benzoic acid [8-chloro-3-(hydroxymethyl)-6-methoxy-4-oxo-2H-1-benzothiopyran-3-yl]methyl ester IUPAC Name: [8-chloro-3-(hydroxymethyl)-6-methoxy-4-oxo-2H-thiochromen-3-yl]methyl 2-(trifluoromethyl)benzoate Traditional Name: 2-(trifluoromethyl)benzoic acid (8-chloro-4-keto-6-methoxy-3-methylol-thiochroman-3-yl)methyl ester Formula: C20H16ClF3O5S MolecularWeight: 460.85125

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C(=O)C(CS2)(CO)COC(=O)C3=CC=CC=C3C(F)(F)F)Cl

Isomeric SMILES

COC1=CC(=C2C(=C1)C(=O)C(CS2)(CO)COC(=O)C3=CC=CC=C3C(F)(F)F)Cl

InChI

InChI=1S/C20H16ClF3O5S/c1-28-11-6-13-16(15(21)7-11)30-10-19(8-25,17(13)26)9-29-18(27)12-4-2-3-5-14(12)20(22,23)24/h2-7,25H,8-10H2,1H3