3-acetyloxy-4-methyl-2-(methylamino)-5-methylidene-7-methylsulfanyl-heptanoic acid

Systemtic Name: 3-acetyloxy-4-methyl-2-(methylamino)-5-methylidene-7-methylsulfanyl-heptanoic acid Openeye Name: 3-acetoxy-4-methyl-2-(methylamino)-5-methylene-7-methylsulfanyl-heptanoic acid CAS Name: 3-acetyloxy-4-methyl-2-(methylamino)-5-methylene-7-(methylthio)heptanoic acid IUPAC Name: 3-acetyloxy-4-methyl-2-(methylamino)-5-methylidene-7-methylsulfanylheptanoic acid Traditional Name: 3-acetoxy-4-methyl-2-(methylamino)-5-[2-(methylthio)ethyl]hex-5-enoic acid Formula: C13H23NO4S MolecularWeight: 289.39102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C(=O)O)NC)OC(=O)C)C(=C)CCSC

Isomeric SMILES

CC(C(C(C(=O)O)NC)OC(=O)C)C(=C)CCSC

InChI

InChI=1S/C13H23NO4S/c1-8(6-7-19-5)9(2)12(18-10(3)15)11(14-4)13(16)17/h9,11-12,14H,1,6-7H2,2-5H3,(H,16,17)