methyl 2-phenacylsulfanyl-5-(trifluoromethyl)benzoate

Systemtic Name: methyl 2-phenacylsulfanyl-5-(trifluoromethyl)benzoate Openeye Name: methyl 2-phenacylsulfanyl-5-(trifluoromethyl)benzoate CAS Name: 2-(phenacylthio)-5-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 2-phenacylsulfanyl-5-(trifluoromethyl)benzoate Traditional Name: 2-(phenacylthio)-5-(trifluoromethyl)benzoic acid methyl ester Formula: C17H13F3O3S MolecularWeight: 354.34353

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C(F)(F)F)SCC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C(F)(F)F)SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H13F3O3S/c1-23-16(22)13-9-12(17(18,19)20)7-8-15(13)24-10-14(21)11-5-3-2-4-6-11/h2-9H,10H2,1H3