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

Systemtic Name: 2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]benzoic acid Openeye Name: 2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]benzoic acid CAS Name: 2-methyl-3-[1-[4-(methylthio)phenyl]ethylamino]benzoic acid IUPAC Name: 2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]benzoic acid Traditional Name: 2-methyl-3-[1-[4-(methylthio)phenyl]ethylamino]benzoic acid Formula: C17H19NO2S MolecularWeight: 301.40326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(C)C2=CC=C(C=C2)SC)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(C)C2=CC=C(C=C2)SC)C(=O)O

InChI

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