[1,3-dimethyl-6-(4-methylsulfanylphenyl)-8-oxidanylidene-cyclohepta[c]furan-4-yl] furan-2-carboxylate

Systemtic Name: [1,3-dimethyl-6-(4-methylsulfanylphenyl)-8-oxidanylidene-cyclohepta[c]furan-4-yl] furan-2-carboxylate Openeye Name: [1,3-dimethyl-6-(4-methylsulfanylphenyl)-8-oxo-cyclohepta[c]furan-4-yl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [1,3-dimethyl-6-[4-(methylthio)phenyl]-8-oxo-4-cyclohepta[c]furanyl] ester IUPAC Name: [1,3-dimethyl-6-(4-methylsulfanylphenyl)-8-oxocyclohepta[c]furan-4-yl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [8-keto-1,3-dimethyl-6-[4-(methylthio)phenyl]cyclohepta[c]furan-4-yl] ester Formula: C23H18O5S MolecularWeight: 406.45102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC=C(C=C3)SC)OC(=O)C4=CC=CO4

Isomeric SMILES

CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC=C(C=C3)SC)OC(=O)C4=CC=CO4

InChI

InChI=1S/C23H18O5S/c1-13-21-18(24)11-16(15-6-8-17(29-3)9-7-15)12-20(22(21)14(2)27-13)28-23(25)19-5-4-10-26-19/h4-12H,1-3H3