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

Systemtic Name: 2-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[2-(4-ethylphenyl)-4-methyl-thiazole-5-carbonyl]amino]terephthalic acid CAS Name: 2-[[[2-(4-ethylphenyl)-4-methyl-5-thiazolyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]terephthalic acid Traditional Name: 2-[[2-(4-ethylphenyl)-4-methyl-thiazole-5-carbonyl]amino]terephthalic acid Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)C

InChI

InChI=1S/C21H18N2O5S/c1-3-12-4-6-13(7-5-12)19-22-11(2)17(29-19)18(24)23-16-10-14(20(25)26)8-9-15(16)21(27)28/h4-10H,3H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)