2-[3-(ethanoylsulfanylmethyl)-7-methyl-2-oxidanylidene-azepan-1-yl]ethanoic acid

Systemtic Name: 2-[3-(ethanoylsulfanylmethyl)-7-methyl-2-oxidanylidene-azepan-1-yl]ethanoic acid Openeye Name: 2-[3-(acetylsulfanylmethyl)-7-methyl-2-oxo-azepan-1-yl]acetic acid CAS Name: 2-[3-[(acetylthio)methyl]-7-methyl-2-oxo-1-azepanyl]acetic acid IUPAC Name: 2-[3-(acetylsulfanylmethyl)-7-methyl-2-oxoazepan-1-yl]acetic acid Traditional Name: 2-[3-[(acetylthio)methyl]-2-keto-7-methyl-azepan-1-yl]acetic acid Formula: C12H19NO4S MolecularWeight: 273.34856

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C(=O)N1CC(=O)O)CSC(=O)C

Isomeric SMILES

CC1CCCC(C(=O)N1CC(=O)O)CSC(=O)C

InChI

InChI=1S/C12H19NO4S/c1-8-4-3-5-10(7-18-9(2)14)12(17)13(8)6-11(15)16/h8,10H,3-7H2,1-2H3,(H,15,16)