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

Systemtic Name: (1,3-dimethyl-8-oxidanylidene-6-thiophen-2-yl-cyclohepta[c]furan-4-yl) benzoate Openeye Name: [1,3-dimethyl-8-oxo-6-(2-thienyl)cyclohepta[c]furan-4-yl] benzoate CAS Name: benzoic acid (1,3-dimethyl-8-oxo-6-thiophen-2-yl-4-cyclohepta[c]furanyl) ester IUPAC Name: (1,3-dimethyl-8-oxo-6-thiophen-2-ylcyclohepta[c]furan-4-yl) benzoate Traditional Name: benzoic acid [8-keto-1,3-dimethyl-6-(2-thienyl)cyclohepta[c]furan-4-yl] ester Formula: C22H16O4S MolecularWeight: 376.42504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC=CS3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC=CS3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H16O4S/c1-13-20-17(23)11-16(19-9-6-10-27-19)12-18(21(20)14(2)25-13)26-22(24)15-7-4-3-5-8-15/h3-12H,1-2H3