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

Systemtic Name: 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid Openeye Name: 4-[(2-methylthiazol-4-yl)methylamino]benzoic acid CAS Name: 4-[(2-methyl-4-thiazolyl)methylamino]benzoic acid IUPAC Name: 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid Traditional Name: 4-[(2-methylthiazol-4-yl)methylamino]benzoic acid Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NC(=CS1)CNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H12N2O2S/c1-8-14-11(7-17-8)6-13-10-4-2-9(3-5-10)12(15)16/h2-5,7,13H,6H2,1H3,(H,15,16)