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

Systemtic Name: 2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[2-(3,4-dimethoxyphenyl)-4-methyl-thiazole-5-carbonyl]amino]terephthalic acid CAS Name: 2-[[[2-(3,4-dimethoxyphenyl)-4-methyl-5-thiazolyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]terephthalic acid Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)-4-methyl-thiazole-5-carbonyl]amino]terephthalic acid Formula: C21H18N2O7S MolecularWeight: 442.44182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O7S/c1-10-17(31-19(22-10)11-5-7-15(29-2)16(9-11)30-3)18(24)23-14-8-12(20(25)26)4-6-13(14)21(27)28/h4-9H,1-3H3,(H,23,24)(H,25,26)(H,27,28)