1-(2-oxidanylidene-2-thiophen-2-yl-ethanoyl)azepane-2-carboxylic acid

Systemtic Name: 1-(2-oxidanylidene-2-thiophen-2-yl-ethanoyl)azepane-2-carboxylic acid Openeye Name: 1-[2-oxo-2-(2-thienyl)acetyl]azepane-2-carboxylic acid CAS Name: 1-(1,2-dioxo-2-thiophen-2-ylethyl)-2-azepanecarboxylic acid IUPAC Name: 1-(2-oxo-2-thiophen-2-ylacetyl)azepane-2-carboxylic acid Traditional Name: 1-[2-keto-2-(2-thienyl)acetyl]azepane-2-carboxylic acid Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C(=O)C(=O)C2=CC=CS2)C(=O)O

Isomeric SMILES

C1CCC(N(CC1)C(=O)C(=O)C2=CC=CS2)C(=O)O

InChI

InChI=1S/C13H15NO4S/c15-11(10-6-4-8-19-10)12(16)14-7-3-1-2-5-9(14)13(17)18/h4,6,8-9H,1-3,5,7H2,(H,17,18)