2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-ethenyl]-2-chloranyl-6-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-ethenyl]-2-chloranyl-6-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-vinyl]-2-chloro-6-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[2-(1,3-benzothiazol-2-ylthio)-2-cyanoethenyl]-2-chloro-6-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyanoethenyl]-2-chloro-6-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[2-(1,3-benzothiazol-2-ylthio)-2-cyano-vinyl]-2-chloro-6-methoxy-phenoxy]acetic acid Formula: C19H13ClN2O4S2 MolecularWeight: 432.90052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)Cl)OCC(=O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)Cl)OCC(=O)O

InChI

InChI=1S/C19H13ClN2O4S2/c1-25-15-8-11(7-13(20)18(15)26-10-17(23)24)6-12(9-21)27-19-22-14-4-2-3-5-16(14)28-19/h2-8H,10H2,1H3,(H,23,24)