4-[[(E)-2-(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-2-(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-(4-cyano-3-methylsulfanyl-isothiazol-5-yl)vinyl]amino]benzoic acid CAS Name: 4-[[(E)-2-[4-cyano-3-(methylthio)-5-isothiazolyl]ethenyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-[4-cyano-3-(methylthio)isothiazol-5-yl]vinyl]amino]benzoic acid Formula: C14H11N3O2S2 MolecularWeight: 317.38604

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NSC(=C1C#N)C=CNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CSC1=NSC(=C1C#N)/C=C/NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H11N3O2S2/c1-20-13-11(8-15)12(21-17-13)6-7-16-10-4-2-9(3-5-10)14(18)19/h2-7,16H,1H3,(H,18,19)/b7-6+