2-[2,7-bis(oxidanylidene)azepan-1-yl]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2,7-bis(oxidanylidene)azepan-1-yl]-4-methylsulfanyl-butanoic acid Openeye Name: 2-(2,7-dioxoazepan-1-yl)-4-methylsulfanyl-butanoic acid CAS Name: 2-(2,7-dioxo-1-azepanyl)-4-(methylthio)butanoic acid IUPAC Name: 2-(2,7-dioxoazepan-1-yl)-4-methylsulfanylbutanoic acid Traditional Name: 2-(2,7-diketoazepan-1-yl)-4-(methylthio)butyric acid Formula: C11H17NO4S MolecularWeight: 259.32198

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)N1C(=O)CCCCC1=O

Isomeric SMILES

CSCCC(C(=O)O)N1C(=O)CCCCC1=O

InChI

InChI=1S/C11H17NO4S/c1-17-7-6-8(11(15)16)12-9(13)4-2-3-5-10(12)14/h8H,2-7H2,1H3,(H,15,16)