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

Systemtic Name: [1,3-dimethyl-6-(4-methylsulfanylphenyl)-8-oxidanylidene-cyclohepta[c]furan-4-yl] benzoate Openeye Name: [1,3-dimethyl-6-(4-methylsulfanylphenyl)-8-oxo-cyclohepta[c]furan-4-yl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [8-keto-1,3-dimethyl-6-[4-(methylthio)phenyl]cyclohepta[c]furan-4-yl] ester Formula: C25H20O4S MolecularWeight: 416.4889

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H20O4S/c1-15-23-21(26)13-19(17-9-11-20(30-3)12-10-17)14-22(24(23)16(2)28-15)29-25(27)18-7-5-4-6-8-18/h4-14H,1-3H3