2-[4-(2,4-dimethoxyphenyl)-2-(1H-indol-2-ylcarbonylamino)-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[4-(2,4-dimethoxyphenyl)-2-(1H-indol-2-ylcarbonylamino)-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[4-(2,4-dimethoxyphenyl)-2-(1H-indole-2-carbonylamino)thiazol-5-yl]acetic acid CAS Name: 2-[4-(2,4-dimethoxyphenyl)-2-[[1H-indol-2-yl(oxo)methyl]amino]-5-thiazolyl]acetic acid IUPAC Name: 2-[4-(2,4-dimethoxyphenyl)-2-(1H-indole-2-carbonylamino)-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[4-(2,4-dimethoxyphenyl)-2-(1H-indole-2-carbonylamino)thiazol-5-yl]acetic acid Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC4=CC=CC=C4N3)CC(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC4=CC=CC=C4N3)CC(=O)O)OC

InChI

InChI=1S/C22H19N3O5S/c1-29-13-7-8-14(17(10-13)30-2)20-18(11-19(26)27)31-22(24-20)25-21(28)16-9-12-5-3-4-6-15(12)23-16/h3-10,23H,11H2,1-2H3,(H,26,27)(H,24,25,28)