tert-butyl 3-ethanoyl-4-methyl-2-phenylsulfanyl-pentanoate

Systemtic Name: tert-butyl 3-ethanoyl-4-methyl-2-phenylsulfanyl-pentanoate Openeye Name: tert-butyl 3-acetyl-4-methyl-2-phenylsulfanyl-pentanoate CAS Name: 3-acetyl-4-methyl-2-(phenylthio)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetyl-4-methyl-2-phenylsulfanylpentanoate Traditional Name: 3-acetyl-4-methyl-2-(phenylthio)valeric acid tert-butyl ester Formula: C18H26O3S MolecularWeight: 322.46224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O3S/c1-12(2)15(13(3)19)16(17(20)21-18(4,5)6)22-14-10-8-7-9-11-14/h7-12,15-16H,1-6H3