diethyl 2-[2-(1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]propanedioate

Systemtic Name: diethyl 2-[2-(1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]propanedioate Openeye Name: diethyl 2-[2-(benzothiophen-2-yl)-2-oxo-ethyl]propanedioate CAS Name: 2-[2-(1-benzothiophen-2-yl)-2-oxoethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(1-benzothiophen-2-yl)-2-oxoethyl]propanedioate Traditional Name: 2-[2-(benzothiophen-2-yl)-2-keto-ethyl]malonic acid diethyl ester Formula: C17H18O5S MolecularWeight: 334.38682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)C1=CC2=CC=CC=C2S1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC(=O)C1=CC2=CC=CC=C2S1)C(=O)OCC

InChI

InChI=1S/C17H18O5S/c1-3-21-16(19)12(17(20)22-4-2)10-13(18)15-9-11-7-5-6-8-14(11)23-15/h5-9,12H,3-4,10H2,1-2H3