5-[[methyl-(4-methyl-1,3-thiazol-2-yl)amino]methyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[methyl-(4-methyl-1,3-thiazol-2-yl)amino]methyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[methyl-(4-methylthiazol-2-yl)amino]methyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[[methyl-(4-methyl-2-thiazolyl)amino]methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[methyl-(4-methyl-1,3-thiazol-2-yl)amino]methyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[methyl-(4-methylthiazol-2-yl)amino]methyl]isophthalic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)N(C)CC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CSC(=N1)N(C)CC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C14H14N2O4S/c1-8-7-21-14(15-8)16(2)6-9-3-10(12(17)18)5-11(4-9)13(19)20/h3-5,7H,6H2,1-2H3,(H,17,18)(H,19,20)