2-[2-oxidanylidene-3-(sulfanylmethyl)azepan-1-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-3-(sulfanylmethyl)azepan-1-yl]ethanoic acid Openeye Name: 2-[2-oxo-3-(sulfanylmethyl)azepan-1-yl]acetic acid CAS Name: 2-[3-(mercaptomethyl)-2-oxo-1-azepanyl]acetic acid IUPAC Name: 2-[2-oxo-3-(sulfanylmethyl)azepan-1-yl]acetic acid Traditional Name: 2-[2-keto-3-(mercaptomethyl)azepan-1-yl]acetic acid Formula: C9H15NO3S MolecularWeight: 217.2853

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)CS)CC(=O)O

Isomeric SMILES

C1CCN(C(=O)C(C1)CS)CC(=O)O

InChI

InChI=1S/C9H15NO3S/c11-8(12)5-10-4-2-1-3-7(6-14)9(10)13/h7,14H,1-6H2,(H,11,12)