methyl 2-[(2,5-dimethylphenyl)methylsulfanyl]benzoate

Systemtic Name: methyl 2-[(2,5-dimethylphenyl)methylsulfanyl]benzoate Openeye Name: methyl 2-[(2,5-dimethylphenyl)methylsulfanyl]benzoate CAS Name: 2-[(2,5-dimethylphenyl)methylthio]benzoic acid methyl ester IUPAC Name: methyl 2-[(2,5-dimethylphenyl)methylsulfanyl]benzoate Traditional Name: 2-[(2,5-dimethylbenzyl)thio]benzoic acid methyl ester Formula: C17H18O2S MolecularWeight: 286.38862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C17H18O2S/c1-12-8-9-13(2)14(10-12)11-20-16-7-5-4-6-15(16)17(18)19-3/h4-10H,11H2,1-3H3