2-[[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[2-(3-chlorophenyl)-4-methyl-thiazole-5-carbonyl]amino]terephthalic acid CAS Name: 2-[[[2-(3-chlorophenyl)-4-methyl-5-thiazolyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]terephthalic acid Traditional Name: 2-[[2-(3-chlorophenyl)-4-methyl-thiazole-5-carbonyl]amino]terephthalic acid Formula: C19H13ClN2O5S MolecularWeight: 416.83492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C19H13ClN2O5S/c1-9-15(28-17(21-9)10-3-2-4-12(20)7-10)16(23)22-14-8-11(18(24)25)5-6-13(14)19(26)27/h2-8H,1H3,(H,22,23)(H,24,25)(H,26,27)