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

Systemtic Name: methyl 3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)benzoate Openeye Name: methyl 3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)benzoate CAS Name: 3-(methylaminomethyl)-4-[4-(methylthio)phenoxy]benzoic acid methyl ester IUPAC Name: methyl 3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)benzoate Traditional Name: 3-(methylaminomethyl)-4-[4-(methylthio)phenoxy]benzoic acid methyl ester Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C=CC(=C1)C(=O)OC)OC2=CC=C(C=C2)SC

Isomeric SMILES

CNCC1=C(C=CC(=C1)C(=O)OC)OC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H19NO3S/c1-18-11-13-10-12(17(19)20-2)4-9-16(13)21-14-5-7-15(22-3)8-6-14/h4-10,18H,11H2,1-3H3