3-azanyl-1-(2-oxidanylidene-2-thiophen-3-yl-ethyl)azepan-2-one

Systemtic Name: 3-azanyl-1-(2-oxidanylidene-2-thiophen-3-yl-ethyl)azepan-2-one Openeye Name: 3-amino-1-[2-oxo-2-(3-thienyl)ethyl]azepan-2-one CAS Name: 3-amino-1-[2-oxo-2-(3-thiophenyl)ethyl]-2-azepanone IUPAC Name: 3-amino-1-(2-oxo-2-thiophen-3-ylethyl)azepan-2-one Traditional Name: 3-amino-1-[2-keto-2-(3-thienyl)ethyl]azepan-2-one Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N)CC(=O)C2=CSC=C2

Isomeric SMILES

C1CCN(C(=O)C(C1)N)CC(=O)C2=CSC=C2

InChI

InChI=1S/C12H16N2O2S/c13-10-3-1-2-5-14(12(10)16)7-11(15)9-4-6-17-8-9/h4,6,8,10H,1-3,5,7,13H2