ethyl 3-(4-methylphenyl)sulfanyl-2-[(4-methylphenyl)sulfanylmethyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate

Systemtic Name: ethyl 3-(4-methylphenyl)sulfanyl-2-[(4-methylphenyl)sulfanylmethyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate Openeye Name: ethyl 4-hydroxy-5-oxo-3-(p-tolylsulfanyl)-2-(p-tolylsulfanylmethyl)furan-2-carboxylate CAS Name: 4-hydroxy-3-[(4-methylphenyl)thio]-2-[[(4-methylphenyl)thio]methyl]-5-oxo-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-3-(4-methylphenyl)sulfanyl-2-[(4-methylphenyl)sulfanylmethyl]-5-oxofuran-2-carboxylate Traditional Name: 4-hydroxy-5-keto-3-(p-tolylthio)-2-[(p-tolylthio)methyl]furan-2-carboxylic acid ethyl ester Formula: C22H22O5S2 MolecularWeight: 430.53708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=C(C(=O)O1)O)SC2=CC=C(C=C2)C)CSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1(C(=C(C(=O)O1)O)SC2=CC=C(C=C2)C)CSC3=CC=C(C=C3)C

InChI

InChI=1S/C22H22O5S2/c1-4-26-21(25)22(13-28-16-9-5-14(2)6-10-16)19(18(23)20(24)27-22)29-17-11-7-15(3)8-12-17/h5-12,23H,4,13H2,1-3H3