(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C17H15BrO5S MolecularWeight: 411.267

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C17H15BrO5S/c18-12-9-15-14(21-5-6-22-15)8-11(12)10-23-17(20)4-3-13(19)16-2-1-7-24-16/h1-2,7-9H,3-6,10H2