methyl 3-ethyl-4-phenylsulfanylcarbonyloxy-heptanoate

Systemtic Name: methyl 3-ethyl-4-phenylsulfanylcarbonyloxy-heptanoate Openeye Name: methyl 3-ethyl-4-phenylsulfanylcarbonyloxy-heptanoate CAS Name: 3-ethyl-4-[oxo-(phenylthio)methoxy]heptanoic acid methyl ester IUPAC Name: methyl 3-ethyl-4-phenylsulfanylcarbonyloxyheptanoate Traditional Name: 3-ethyl-4-(phenylthio)carbonyloxy-enanthic acid methyl ester Formula: C17H24O4S MolecularWeight: 324.43506

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)CC(=O)OC)OC(=O)SC1=CC=CC=C1

Isomeric SMILES

CCCC(C(CC)CC(=O)OC)OC(=O)SC1=CC=CC=C1

InChI

InChI=1S/C17H24O4S/c1-4-9-15(13(5-2)12-16(18)20-3)21-17(19)22-14-10-7-6-8-11-14/h6-8,10-11,13,15H,4-5,9,12H2,1-3H3