methyl 4-[7-hexoxy-8-methyl-4-sulfanylidene-2-(trifluoromethyl)chromen-3-yl]-5-methyl-furan-2-carboxylate

Systemtic Name: methyl 4-[7-hexoxy-8-methyl-4-sulfanylidene-2-(trifluoromethyl)chromen-3-yl]-5-methyl-furan-2-carboxylate Openeye Name: methyl 4-[7-hexoxy-8-methyl-4-thioxo-2-(trifluoromethyl)chromen-3-yl]-5-methyl-furan-2-carboxylate CAS Name: 4-[7-hexoxy-8-methyl-4-sulfanylidene-2-(trifluoromethyl)-1-benzopyran-3-yl]-5-methyl-2-furancarboxylic acid methyl ester IUPAC Name: methyl 4-[7-hexoxy-8-methyl-4-sulfanylidene-2-(trifluoromethyl)chromen-3-yl]-5-methylfuran-2-carboxylate Traditional Name: 4-[7-hexoxy-8-methyl-4-thioxo-2-(trifluoromethyl)chromen-3-yl]-5-methyl-furan-2-carboxylic acid methyl ester Formula: C24H25F3O5S MolecularWeight: 482.51251

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C2=C(C=C1)C(=S)C(=C(O2)C(F)(F)F)C3=C(OC(=C3)C(=O)OC)C)C

Isomeric SMILES

CCCCCCOC1=C(C2=C(C=C1)C(=S)C(=C(O2)C(F)(F)F)C3=C(OC(=C3)C(=O)OC)C)C

InChI

InChI=1S/C24H25F3O5S/c1-5-6-7-8-11-30-17-10-9-15-20(13(17)2)32-22(24(25,26)27)19(21(15)33)16-12-18(23(28)29-4)31-14(16)3/h9-10,12H,5-8,11H2,1-4H3