2-[2-(1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]propanedioic acid

Systemtic Name: 2-[2-(1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]propanedioic acid Openeye Name: 2-[2-(benzothiophen-2-yl)-2-oxo-ethyl]propanedioic acid CAS Name: 2-[2-(1-benzothiophen-2-yl)-2-oxoethyl]propanedioic acid IUPAC Name: 2-[2-(1-benzothiophen-2-yl)-2-oxoethyl]propanedioic acid Traditional Name: 2-[2-(benzothiophen-2-yl)-2-keto-ethyl]malonic acid Formula: C13H10O5S MolecularWeight: 278.2805

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C(=O)CC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C(=O)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C13H10O5S/c14-9(6-8(12(15)16)13(17)18)11-5-7-3-1-2-4-10(7)19-11/h1-5,8H,6H2,(H,15,16)(H,17,18)