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

Systemtic Name: methyl 2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-ethenyl]-2-chloranyl-6-methoxy-phenoxy]ethanoate Openeye Name: methyl 2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-vinyl]-2-chloro-6-methoxy-phenoxy]acetate CAS Name: 2-[4-[2-(1,3-benzothiazol-2-ylthio)-2-cyanoethenyl]-2-chloro-6-methoxyphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyanoethenyl]-2-chloro-6-methoxyphenoxy]acetate Traditional Name: 2-[4-[2-(1,3-benzothiazol-2-ylthio)-2-cyano-vinyl]-2-chloro-6-methoxy-phenoxy]acetic acid methyl ester Formula: C20H15ClN2O4S2 MolecularWeight: 446.9271

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN2O4S2/c1-25-16-9-12(8-14(21)19(16)27-11-18(24)26-2)7-13(10-22)28-20-23-15-5-3-4-6-17(15)29-20/h3-9H,11H2,1-2H3