ethanoylsulfanylmethyl 3-ethyl-4-phenyl-benzoate

Systemtic Name: ethanoylsulfanylmethyl 3-ethyl-4-phenyl-benzoate Openeye Name: acetylsulfanylmethyl 3-ethyl-4-phenyl-benzoate CAS Name: 3-ethyl-4-phenylbenzoic acid (acetylthio)methyl ester IUPAC Name: acetylsulfanylmethyl 3-ethyl-4-phenylbenzoate Traditional Name: 3-ethyl-4-phenyl-benzoic acid (acetylthio)methyl ester Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(=O)OCSC(=O)C)C2=CC=CC=C2

Isomeric SMILES

CCC1=C(C=CC(=C1)C(=O)OCSC(=O)C)C2=CC=CC=C2

InChI

InChI=1S/C18H18O3S/c1-3-14-11-16(18(20)21-12-22-13(2)19)9-10-17(14)15-7-5-4-6-8-15/h4-11H,3,12H2,1-2H3