3-(dimethylaminomethyl)-4-(4-methylsulfanylphenoxy)benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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