(4-oxidanylidene-4-thiophen-2-yl-butyl) 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C18H18O6S MolecularWeight: 362.39692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H18O6S/c1-21-14-10-12(11-15-17(14)23-8-7-22-15)18(20)24-6-2-4-13(19)16-5-3-9-25-16/h3,5,9-11H,2,4,6-8H2,1H3