methyl 2-acetyloxy-2-methylsulfanyl-3-phenyl-heptanoate

Systemtic Name: methyl 2-acetyloxy-2-methylsulfanyl-3-phenyl-heptanoate Openeye Name: methyl 2-acetoxy-2-methylsulfanyl-3-phenyl-heptanoate CAS Name: 2-acetyloxy-2-(methylthio)-3-phenylheptanoic acid methyl ester IUPAC Name: methyl 2-acetyloxy-2-methylsulfanyl-3-phenylheptanoate Traditional Name: 2-acetoxy-2-(methylthio)-3-phenyl-enanthic acid methyl ester Formula: C17H24O4S MolecularWeight: 324.43506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC=C1)C(C(=O)OC)(OC(=O)C)SC

Isomeric SMILES

CCCCC(C1=CC=CC=C1)C(C(=O)OC)(OC(=O)C)SC

InChI

InChI=1S/C17H24O4S/c1-5-6-12-15(14-10-8-7-9-11-14)17(22-4,16(19)20-3)21-13(2)18/h7-11,15H,5-6,12H2,1-4H3