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

Systemtic Name: methyl 4-[7-butoxy-8-methyl-4-sulfanylidene-2-(trifluoromethyl)chromen-3-yl]-5-methyl-furan-2-carboxylate Openeye Name: methyl 4-[7-butoxy-8-methyl-4-thioxo-2-(trifluoromethyl)chromen-3-yl]-5-methyl-furan-2-carboxylate CAS Name: 4-[7-butoxy-8-methyl-4-sulfanylidene-2-(trifluoromethyl)-1-benzopyran-3-yl]-5-methyl-2-furancarboxylic acid methyl ester IUPAC Name: methyl 4-[7-butoxy-8-methyl-4-sulfanylidene-2-(trifluoromethyl)chromen-3-yl]-5-methylfuran-2-carboxylate Traditional Name: 4-[7-butoxy-8-methyl-4-thioxo-2-(trifluoromethyl)chromen-3-yl]-5-methyl-furan-2-carboxylic acid methyl ester Formula: C22H21F3O5S MolecularWeight: 454.45935

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=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

CCCCOC1=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/C22H21F3O5S/c1-5-6-9-28-15-8-7-13-18(11(15)2)30-20(22(23,24)25)17(19(13)31)14-10-16(21(26)27-4)29-12(14)3/h7-8,10H,5-6,9H2,1-4H3