4-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid

Systemtic Name: 4-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid Openeye Name: 4-methyl-3-[1-(2-methylthiazol-4-yl)ethylamino]benzoic acid CAS Name: 4-methyl-3-[1-(2-methyl-4-thiazolyl)ethylamino]benzoic acid IUPAC Name: 4-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid Traditional Name: 4-methyl-3-[1-(2-methylthiazol-4-yl)ethylamino]benzoic acid Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(C)C2=CSC(=N2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(C)C2=CSC(=N2)C

InChI

InChI=1S/C14H16N2O2S/c1-8-4-5-11(14(17)18)6-12(8)15-9(2)13-7-19-10(3)16-13/h4-7,9,15H,1-3H3,(H,17,18)