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

Systemtic Name: methyl 5-methyl-4-[8-methyl-7-propoxy-4-sulfanylidene-2-(trifluoromethyl)chromen-3-yl]furan-2-carboxylate Openeye Name: methyl 5-methyl-4-[8-methyl-7-propoxy-4-thioxo-2-(trifluoromethyl)chromen-3-yl]furan-2-carboxylate CAS Name: 5-methyl-4-[8-methyl-7-propoxy-4-sulfanylidene-2-(trifluoromethyl)-1-benzopyran-3-yl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-[8-methyl-7-propoxy-4-sulfanylidene-2-(trifluoromethyl)chromen-3-yl]furan-2-carboxylate Traditional Name: 5-methyl-4-[8-methyl-7-propoxy-4-thioxo-2-(trifluoromethyl)chromen-3-yl]furan-2-carboxylic acid methyl ester Formula: C21H19F3O5S MolecularWeight: 440.43277

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=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

CCCOC1=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/C21H19F3O5S/c1-5-8-27-14-7-6-12-17(10(14)2)29-19(21(22,23)24)16(18(12)30)13-9-15(20(25)26-4)28-11(13)3/h6-7,9H,5,8H2,1-4H3