5-[[2-cyano-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethenyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[2-cyano-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethenyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-cyano-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]vinyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-cyano-2-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]ethenyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-cyano-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethenyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[2-cyano-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]vinyl]amino]-2-hydroxy-benzoic acid Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)C(=CNC3=CC(=C(C=C3)O)C(=O)O)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)C(=CNC3=CC(=C(C=C3)O)C(=O)O)C#N)OC

InChI

InChI=1S/C21H17N3O5S/c1-28-18-6-3-12(7-19(18)29-2)16-11-30-20(24-16)13(9-22)10-23-14-4-5-17(25)15(8-14)21(26)27/h3-8,10-11,23,25H,1-2H3,(H,26,27)