diethyl 2-[[2-(bromomethyl)-1-benzothiophen-3-yl]methylidene]propanedioate

Systemtic Name: diethyl 2-[[2-(bromomethyl)-1-benzothiophen-3-yl]methylidene]propanedioate Openeye Name: diethyl 2-[[2-(bromomethyl)benzothiophen-3-yl]methylene]propanedioate CAS Name: 2-[[2-(bromomethyl)-1-benzothiophen-3-yl]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-(bromomethyl)-1-benzothiophen-3-yl]methylidene]propanedioate Traditional Name: 2-[[2-(bromomethyl)benzothiophen-3-yl]methylene]malonic acid diethyl ester Formula: C17H17BrO4S MolecularWeight: 397.28348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(SC2=CC=CC=C21)CBr)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CC1=C(SC2=CC=CC=C21)CBr)C(=O)OCC

InChI

InChI=1S/C17H17BrO4S/c1-3-21-16(19)13(17(20)22-4-2)9-12-11-7-5-6-8-14(11)23-15(12)10-18/h5-9H,3-4,10H2,1-2H3