tert-butyl 2-ethanoyl-3-oxidanylidene-5-(phenylmethylsulfanyl)pentanoate

Systemtic Name: tert-butyl 2-ethanoyl-3-oxidanylidene-5-(phenylmethylsulfanyl)pentanoate Openeye Name: tert-butyl 2-acetyl-5-benzylsulfanyl-3-oxo-pentanoate CAS Name: 2-acetyl-3-oxo-5-(phenylmethylthio)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-acetyl-5-benzylsulfanyl-3-oxopentanoate Traditional Name: 2-acetyl-5-(benzylthio)-3-keto-valeric acid tert-butyl ester Formula: C18H24O4S MolecularWeight: 336.44576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)CCSCC1=CC=CC=C1)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C(C(=O)CCSCC1=CC=CC=C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H24O4S/c1-13(19)16(17(21)22-18(2,3)4)15(20)10-11-23-12-14-8-6-5-7-9-14/h5-9,16H,10-12H2,1-4H3