4-[2-[4-azanyl-2-[(3,4,5-trimethoxyphenyl)amino]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]benzoic acid

Systemtic Name: 4-[2-[4-azanyl-2-[(3,4,5-trimethoxyphenyl)amino]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]benzoic acid Openeye Name: 4-[2-[4-amino-2-(3,4,5-trimethoxyanilino)thiazol-5-yl]thiazol-4-yl]benzoic acid CAS Name: 4-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-5-thiazolyl]-4-thiazolyl]benzoic acid IUPAC Name: 4-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]benzoic acid Traditional Name: 4-[2-[4-amino-2-(3,4,5-trimethoxyanilino)thiazol-5-yl]thiazol-4-yl]benzoic acid Formula: C22H20N4O5S2 MolecularWeight: 484.548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC(=C(S2)C3=NC(=CS3)C4=CC=C(C=C4)C(=O)O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC(=C(S2)C3=NC(=CS3)C4=CC=C(C=C4)C(=O)O)N

InChI

InChI=1S/C22H20N4O5S2/c1-29-15-8-13(9-16(30-2)17(15)31-3)24-22-26-19(23)18(33-22)20-25-14(10-32-20)11-4-6-12(7-5-11)21(27)28/h4-10H,23H2,1-3H3,(H,24,26)(H,27,28)