4-[[2-bromanyl-4-[(E)-(thiophen-2-ylcarbonylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-bromanyl-4-[(E)-(thiophen-2-ylcarbonylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-bromo-4-[(E)-(thiophene-2-carbonylhydrazono)methyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-bromo-4-[(E)-[[oxo(thiophen-2-yl)methyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-bromo-4-[(E)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-bromo-4-[(E)-(2-thenoylhydrazono)methyl]phenoxy]methyl]benzoic acid Formula: C20H15BrN2O4S MolecularWeight: 459.3131

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NN=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)Br

Isomeric SMILES

C1=CSC(=C1)C(=O)N/N=C/C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)Br

InChI

InChI=1S/C20H15BrN2O4S/c21-16-10-14(11-22-23-19(24)18-2-1-9-28-18)5-8-17(16)27-12-13-3-6-15(7-4-13)20(25)26/h1-11H,12H2,(H,23,24)(H,25,26)/b22-11+