methyl 3-phenyl-2-(phenylcarbonyl)-5-(phenylmethylsulfanyl)benzoate

Systemtic Name: methyl 3-phenyl-2-(phenylcarbonyl)-5-(phenylmethylsulfanyl)benzoate Openeye Name: methyl 2-benzoyl-5-benzylsulfanyl-3-phenyl-benzoate CAS Name: 2-benzoyl-3-phenyl-5-(phenylmethylthio)benzoic acid methyl ester IUPAC Name: methyl 2-benzoyl-5-benzylsulfanyl-3-phenylbenzoate Traditional Name: 2-benzoyl-5-(benzylthio)-3-phenyl-benzoic acid methyl ester Formula: C28H22O3S MolecularWeight: 438.53748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC(=C1)SCC2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C(=CC(=C1)SCC2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H22O3S/c1-31-28(30)25-18-23(32-19-20-11-5-2-6-12-20)17-24(21-13-7-3-8-14-21)26(25)27(29)22-15-9-4-10-16-22/h2-18H,19H2,1H3