2-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanylethanoic acid Openeye Name: 2-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[1-(1-azepanyl)-1-oxopropan-2-yl]thio]acetic acid IUPAC Name: 2-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanylacetic acid Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]acetic acid Formula: C11H19NO3S MolecularWeight: 245.33846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SCC(=O)O

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SCC(=O)O

InChI

InChI=1S/C11H19NO3S/c1-9(16-8-10(13)14)11(15)12-6-4-2-3-5-7-12/h9H,2-8H2,1H3,(H,13,14)