(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic 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-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C17H14BrClO5S MolecularWeight: 445.71206

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C17H14BrClO5S/c18-11-8-14-13(22-5-6-23-14)7-10(11)9-24-17(21)4-1-12(20)15-2-3-16(19)25-15/h2-3,7-8H,1,4-6,9H2