4-[[2-ethoxy-4-[(4-oxidanylidene-2-phenylazanyl-1,3-thiazol-5-ylidene)methyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-ethoxy-4-[(4-oxidanylidene-2-phenylazanyl-1,3-thiazol-5-ylidene)methyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[(2-anilino-4-oxo-thiazol-5-ylidene)methyl]-2-ethoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[(2-anilino-4-oxo-5-thiazolylidene)methyl]-2-ethoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[(2-anilino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[(2-anilino-4-keto-2-thiazolin-5-ylidene)methyl]-2-ethoxy-phenoxy]methyl]benzoic acid Formula: C26H22N2O5S MolecularWeight: 474.52828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)NC3=CC=CC=C3)OCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)NC3=CC=CC=C3)OCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H22N2O5S/c1-2-32-22-14-18(10-13-21(22)33-16-17-8-11-19(12-9-17)25(30)31)15-23-24(29)28-26(34-23)27-20-6-4-3-5-7-20/h3-15H,2,16H2,1H3,(H,30,31)(H,27,28,29)