(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]benzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C24H20O6S MolecularWeight: 436.477

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)OCCCC(=O)C4=CC=CS4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)OCCCC(=O)C4=CC=CS4

InChI

InChI=1S/C24H20O6S/c25-19(22-8-4-14-31-22)7-3-11-30-24(27)18-6-2-1-5-17(18)23(26)16-9-10-20-21(15-16)29-13-12-28-20/h1-2,4-6,8-10,14-15H,3,7,11-13H2