methyl 2-[3-(ethanoylsulfanylmethyl)-2-oxidanylidene-azepan-1-yl]ethanoate

Systemtic Name: methyl 2-[3-(ethanoylsulfanylmethyl)-2-oxidanylidene-azepan-1-yl]ethanoate Openeye Name: methyl 2-[3-(acetylsulfanylmethyl)-2-oxo-azepan-1-yl]acetate CAS Name: 2-[3-[(acetylthio)methyl]-2-oxo-1-azepanyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(acetylsulfanylmethyl)-2-oxoazepan-1-yl]acetate Traditional Name: 2-[3-[(acetylthio)methyl]-2-keto-azepan-1-yl]acetic acid methyl ester Formula: C12H19NO4S MolecularWeight: 273.34856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO4S/c1-9(14)18-8-10-5-3-4-6-13(12(10)16)7-11(15)17-2/h10H,3-8H2,1-2H3