methyl 4-(3-ethanoylsulfanylpropyl)benzoate

Systemtic Name: methyl 4-(3-ethanoylsulfanylpropyl)benzoate Openeye Name: methyl 4-(3-acetylsulfanylpropyl)benzoate CAS Name: 4-[3-(acetylthio)propyl]benzoic acid methyl ester IUPAC Name: methyl 4-(3-acetylsulfanylpropyl)benzoate Traditional Name: 4-[3-(acetylthio)propyl]benzoic acid methyl ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CC(=O)SCCCC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C13H16O3S/c1-10(14)17-9-3-4-11-5-7-12(8-6-11)13(15)16-2/h5-8H,3-4,9H2,1-2H3