5-[[(E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]amino]-2-oxidanyl-benzoate

Systemtic Name: 5-[[(E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]amino]-2-oxidanyl-benzoate Openeye Name: 5-[[(E)-2-[4-(3-bromophenyl)thiazol-2-yl]-2-cyano-vinyl]amino]-2-hydroxy-benzoate CAS Name: 5-[[(E)-2-[4-(3-bromophenyl)-2-thiazolyl]-2-cyanoethenyl]amino]-2-hydroxybenzoate IUPAC Name: 5-[[(E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-2-hydroxybenzoate Traditional Name: 5-[[(E)-2-[4-(3-bromophenyl)thiazol-2-yl]-2-cyano-vinyl]amino]-2-hydroxy-benzoate Formula: C19H11BrN3O3S- MolecularWeight: 441.27794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=CSC(=N2)C(=CNC3=CC(=C(C=C3)O)C(=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=CSC(=N2)/C(=C/NC3=CC(=C(C=C3)O)C(=O)[O-])/C#N

InChI

InChI=1S/C19H12BrN3O3S/c20-13-3-1-2-11(6-13)16-10-27-18(23-16)12(8-21)9-22-14-4-5-17(24)15(7-14)19(25)26/h1-7,9-10,22,24H,(H,25,26)/p-1/b12-9+