[2-methyl-4-(phenylcarbonyl)phenyl] 2-(5-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-methyl-4-(phenylcarbonyl)phenyl] 2-(5-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: (4-benzoyl-2-methyl-phenyl) 2-(5-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(5-bromo-2-methylphenyl)thio]acetic acid (4-benzoyl-2-methylphenyl) ester IUPAC Name: (4-benzoyl-2-methylphenyl) 2-(5-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(5-bromo-2-methyl-phenyl)thio]acetic acid (4-benzoyl-2-methyl-phenyl) ester Formula: C23H19BrO3S MolecularWeight: 455.36416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)SCC(=O)OC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)Br)SCC(=O)OC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C23H19BrO3S/c1-15-8-10-19(24)13-21(15)28-14-22(25)27-20-11-9-18(12-16(20)2)23(26)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3