4-[[4-[(E)-(2-acetamido-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-methoxy-phenoxy]methyl]benzoate

Systemtic Name: 4-[[4-[(E)-(2-acetamido-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-methoxy-phenoxy]methyl]benzoate Openeye Name: 4-[[4-[(E)-(2-acetamido-4-oxo-thiazol-5-ylidene)methyl]-2-methoxy-phenoxy]methyl]benzoate CAS Name: 4-[[4-[(E)-(2-acetamido-4-oxo-5-thiazolylidene)methyl]-2-methoxyphenoxy]methyl]benzoate IUPAC Name: 4-[[4-[(E)-(2-acetamido-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-(2-acetamido-4-keto-2-thiazolin-5-ylidene)methyl]-2-methoxy-phenoxy]methyl]benzoate Formula: C21H17N2O6S- MolecularWeight: 425.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)[O-])OC)S1

Isomeric SMILES

CC(=O)NC1=NC(=O)/C(=C\C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)[O-])OC)/S1

InChI

InChI=1S/C21H18N2O6S/c1-12(24)22-21-23-19(25)18(30-21)10-14-5-8-16(17(9-14)28-2)29-11-13-3-6-15(7-4-13)20(26)27/h3-10H,11H2,1-2H3,(H,26,27)(H,22,23,24,25)/p-1/b18-10+