methyl 5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-2-(phenylcarbonyl)benzoate

Systemtic Name: methyl 5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-2-(phenylcarbonyl)benzoate Openeye Name: methyl 2-benzoyl-5-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-3-methyl-benzoate CAS Name: 2-benzoyl-5-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 2-benzoyl-5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-methylbenzoate Traditional Name: 2-benzoyl-5-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-3-methyl-benzoic acid methyl ester Formula: C24H19BrO4S MolecularWeight: 483.37426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19BrO4S/c1-15-12-19(30-14-21(26)16-8-10-18(25)11-9-16)13-20(24(28)29-2)22(15)23(27)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3