methyl 3-methyl-5-(3-oxidanylidenebutylsulfanyl)-2-(phenylcarbonyl)benzoate

Systemtic Name: methyl 3-methyl-5-(3-oxidanylidenebutylsulfanyl)-2-(phenylcarbonyl)benzoate Openeye Name: methyl 2-benzoyl-3-methyl-5-(3-oxobutylsulfanyl)benzoate CAS Name: 2-benzoyl-3-methyl-5-(3-oxobutylthio)benzoic acid methyl ester IUPAC Name: methyl 2-benzoyl-3-methyl-5-(3-oxobutylsulfanyl)benzoate Traditional Name: 2-benzoyl-5-(3-ketobutylthio)-3-methyl-benzoic acid methyl ester Formula: C20H20O4S MolecularWeight: 356.4354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)SCCC(=O)C)C(=O)OC)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=CC(=C1)SCCC(=O)C)C(=O)OC)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H20O4S/c1-13-11-16(25-10-9-14(2)21)12-17(20(23)24-3)18(13)19(22)15-7-5-4-6-8-15/h4-8,11-12H,9-10H2,1-3H3