3-methyl-4-[1-(4-methylsulfanylphenyl)ethylamino]benzoic acid

Systemtic Name: 3-methyl-4-[1-(4-methylsulfanylphenyl)ethylamino]benzoic acid Openeye Name: 3-methyl-4-[1-(4-methylsulfanylphenyl)ethylamino]benzoic acid CAS Name: 3-methyl-4-[1-[4-(methylthio)phenyl]ethylamino]benzoic acid IUPAC Name: 3-methyl-4-[1-(4-methylsulfanylphenyl)ethylamino]benzoic acid Traditional Name: 3-methyl-4-[1-[4-(methylthio)phenyl]ethylamino]benzoic acid Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(C)C2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(C)C2=CC=C(C=C2)SC

InChI

InChI=1S/C17H19NO2S/c1-11-10-14(17(19)20)6-9-16(11)18-12(2)13-4-7-15(21-3)8-5-13/h4-10,12,18H,1-3H3,(H,19,20)