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

Systemtic Name: 4-[[4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-ethoxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-ethoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[(2-amino-4-oxo-5-thiazolylidene)methyl]-2-ethoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2-ethoxy-phenoxy]methyl]benzoic acid Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)N)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)N)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H18N2O5S/c1-2-26-16-9-13(10-17-18(23)22-20(21)28-17)5-8-15(16)27-11-12-3-6-14(7-4-12)19(24)25/h3-10H,2,11H2,1H3,(H,24,25)(H2,21,22,23)