methyl 3-(dimethylaminomethyl)-4-(4-methylsulfanylphenoxy)benzoate

Systemtic Name: methyl 3-(dimethylaminomethyl)-4-(4-methylsulfanylphenoxy)benzoate Openeye Name: methyl 3-(dimethylaminomethyl)-4-(4-methylsulfanylphenoxy)benzoate CAS Name: 3-(dimethylaminomethyl)-4-[4-(methylthio)phenoxy]benzoic acid methyl ester IUPAC Name: methyl 3-(dimethylaminomethyl)-4-(4-methylsulfanylphenoxy)benzoate Traditional Name: 3-(dimethylaminomethyl)-4-[4-(methylthio)phenoxy]benzoic acid methyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=CC(=C1)C(=O)OC)OC2=CC=C(C=C2)SC

Isomeric SMILES

CN(C)CC1=C(C=CC(=C1)C(=O)OC)OC2=CC=C(C=C2)SC

InChI

InChI=1S/C18H21NO3S/c1-19(2)12-14-11-13(18(20)21-3)5-10-17(14)22-15-6-8-16(23-4)9-7-15/h5-11H,12H2,1-4H3