tert-butyl 2-(ethanoylsulfanylmethyl)-4-phenyl-butanoate

Systemtic Name: tert-butyl 2-(ethanoylsulfanylmethyl)-4-phenyl-butanoate Openeye Name: tert-butyl 2-(acetylsulfanylmethyl)-4-phenyl-butanoate CAS Name: 2-[(acetylthio)methyl]-4-phenylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(acetylsulfanylmethyl)-4-phenylbutanoate Traditional Name: 2-[(acetylthio)methyl]-4-phenyl-butyric acid tert-butyl ester Formula: C17H24O3S MolecularWeight: 308.43566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CCC1=CC=CC=C1)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SCC(CCC1=CC=CC=C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H24O3S/c1-13(18)21-12-15(16(19)20-17(2,3)4)11-10-14-8-6-5-7-9-14/h5-9,15H,10-12H2,1-4H3