(2-oxidanylidene-1,2-diphenyl-ethyl) 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: (2-oxo-1,2-diphenyl-ethyl) 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid (2-oxo-1,2-diphenylethyl) ester IUPAC Name: (2-oxo-1,2-diphenylethyl) 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid desyl ester Formula: C23H19BrO3S MolecularWeight: 455.36416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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