[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C17H14BrFO3S MolecularWeight: 397.258663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H14BrFO3S/c1-11-8-13(18)4-7-16(11)23-10-17(21)22-9-15(20)12-2-5-14(19)6-3-12/h2-8H,9-10H2,1H3