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

Systemtic Name: 4-[[2-[(E)-(2-acetamido-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-4-bromanyl-phenoxy]methyl]benzoate Openeye Name: 4-[[2-[(E)-(2-acetamido-4-oxo-thiazol-5-ylidene)methyl]-4-bromo-phenoxy]methyl]benzoate CAS Name: 4-[[2-[(E)-(2-acetamido-4-oxo-5-thiazolylidene)methyl]-4-bromophenoxy]methyl]benzoate IUPAC Name: 4-[[2-[(E)-(2-acetamido-4-oxo-1,3-thiazol-5-ylidene)methyl]-4-bromophenoxy]methyl]benzoate Traditional Name: 4-[[2-[(E)-(2-acetamido-4-keto-2-thiazolin-5-ylidene)methyl]-4-bromo-phenoxy]methyl]benzoate Formula: C20H14BrN2O5S- MolecularWeight: 474.30456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN2O5S/c1-11(24)22-20-23-18(25)17(29-20)9-14-8-15(21)6-7-16(14)28-10-12-2-4-13(5-3-12)19(26)27/h2-9H,10H2,1H3,(H,26,27)(H,22,23,24,25)/p-1/b17-9+