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

Systemtic Name: 2-[3-(ethanoylsulfanylmethyl)-2-oxidanylidene-azepan-1-yl]ethanoic acid Openeye Name: 2-[3-(acetylsulfanylmethyl)-2-oxo-azepan-1-yl]acetic acid CAS Name: 2-[3-[(acetylthio)methyl]-2-oxo-1-azepanyl]acetic acid IUPAC Name: 2-[3-(acetylsulfanylmethyl)-2-oxoazepan-1-yl]acetic acid Traditional Name: 2-[3-[(acetylthio)methyl]-2-keto-azepan-1-yl]acetic acid Formula: C11H17NO4S MolecularWeight: 259.32198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1CCCCN(C1=O)CC(=O)O

Isomeric SMILES

CC(=O)SCC1CCCCN(C1=O)CC(=O)O

InChI

InChI=1S/C11H17NO4S/c1-8(13)17-7-9-4-2-3-5-12(11(9)16)6-10(14)15/h9H,2-7H2,1H3,(H,14,15)