(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]benzoate CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]benzoate Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H26O5S MolecularWeight: 414.51454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C23H26O5S/c1-15(24)16-10-11-19(27-5)17(12-16)14-29-20-9-7-6-8-18(20)22(26)28-13-21(25)23(2,3)4/h6-12H,13-14H2,1-5H3