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

Systemtic Name: methyl 4-[(4-methylsulfanyl-2-phenethyl-phenoxy)methyl]benzoate Openeye Name: methyl 4-[(4-methylsulfanyl-2-phenethyl-phenoxy)methyl]benzoate CAS Name: 4-[[4-(methylthio)-2-phenethylphenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methylsulfanyl-2-phenethylphenoxy)methyl]benzoate Traditional Name: 4-[[4-(methylthio)-2-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=C(C=C2)SC)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=C(C=C(C=C2)SC)CCC3=CC=CC=C3

InChI

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