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

Systemtic Name: methyl 3-methyl-2-(phenylcarbonyl)-5-(phenylmethylsulfanyl)benzoate Openeye Name: methyl 2-benzoyl-5-benzylsulfanyl-3-methyl-benzoate CAS Name: 2-benzoyl-3-methyl-5-(phenylmethylthio)benzoic acid methyl ester IUPAC Name: methyl 2-benzoyl-5-benzylsulfanyl-3-methylbenzoate Traditional Name: 2-benzoyl-5-(benzylthio)-3-methyl-benzoic acid methyl ester Formula: C23H20O3S MolecularWeight: 376.4681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)SCC2=CC=CC=C2)C(=O)OC)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC(=C1)SCC2=CC=CC=C2)C(=O)OC)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H20O3S/c1-16-13-19(27-15-17-9-5-3-6-10-17)14-20(23(25)26-2)21(16)22(24)18-11-7-4-8-12-18/h3-14H,15H2,1-2H3