5-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiophene-2-carboxylic acid Openeye Name: 5-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiophene-2-carboxylic acid CAS Name: 5-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiophene-2-carboxylic acid Traditional Name: 5-[[2-(2-ketoazepan-1-yl)acetyl]amino]-2-thenoic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)NC2=CC=C(S2)C(=O)O

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)NC2=CC=C(S2)C(=O)O

InChI

InChI=1S/C13H16N2O4S/c16-10(8-15-7-3-1-2-4-12(15)17)14-11-6-5-9(20-11)13(18)19/h5-6H,1-4,7-8H2,(H,14,16)(H,18,19)