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

Systemtic Name: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-oxo-2-(4-phenylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-keto-2-(4-phenylphenyl)ethyl] ester Formula: C23H19BrO3S MolecularWeight: 455.36416

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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)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H19BrO3S/c1-16-13-20(24)11-12-22(16)28-15-23(26)27-14-21(25)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-13H,14-15H2,1H3