methyl 4-[(2-methylsulfanyl-6-phenethyl-phenoxy)methyl]benzoate

Systemtic Name: methyl 4-[(2-methylsulfanyl-6-phenethyl-phenoxy)methyl]benzoate Openeye Name: methyl 4-[(2-methylsulfanyl-6-phenethyl-phenoxy)methyl]benzoate CAS Name: 4-[[2-(methylthio)-6-phenethylphenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-methylsulfanyl-6-phenethylphenoxy)methyl]benzoate Traditional Name: 4-[[2-(methylthio)-6-phenethyl-phenoxy]methyl]benzoic acid methyl ester Formula: C24H24O3S MolecularWeight: 392.51056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=C(C=CC=C2SC)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=C(C=CC=C2SC)CCC3=CC=CC=C3

InChI

InChI=1S/C24H24O3S/c1-26-24(25)21-15-12-19(13-16-21)17-27-23-20(9-6-10-22(23)28-2)14-11-18-7-4-3-5-8-18/h3-10,12-13,15-16H,11,14,17H2,1-2H3