2-(2-acetamido-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophen-6-yl)propanedioic acid

Systemtic Name: 2-(2-acetamido-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophen-6-yl)propanedioic acid Openeye Name: 2-(2-acetamido-7-oxo-5,6-dihydro-4H-benzothiophen-6-yl)propanedioic acid CAS Name: 2-(2-acetamido-7-oxo-5,6-dihydro-4H-1-benzothiophen-6-yl)propanedioic acid IUPAC Name: 2-(2-acetamido-7-oxo-5,6-dihydro-4H-1-benzothiophen-6-yl)propanedioic acid Traditional Name: 2-(2-acetamido-7-keto-5,6-dihydro-4H-benzothiophen-6-yl)malonic acid Formula: C13H13NO6S MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(S1)C(=O)C(CC2)C(C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC2=C(S1)C(=O)C(CC2)C(C(=O)O)C(=O)O

InChI

InChI=1S/C13H13NO6S/c1-5(15)14-8-4-6-2-3-7(10(16)11(6)21-8)9(12(17)18)13(19)20/h4,7,9H,2-3H2,1H3,(H,14,15)(H,17,18)(H,19,20)