(6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C16H13BrO5S MolecularWeight: 397.24042

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)COC(=O)CCC(=O)C3=CC=CS3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)COC(=O)CCC(=O)C3=CC=CS3)Br

InChI

InChI=1S/C16H13BrO5S/c17-11-7-14-13(21-9-22-14)6-10(11)8-20-16(19)4-3-12(18)15-2-1-5-23-15/h1-2,5-7H,3-4,8-9H2