ethyl 2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-ethenyl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-ethenyl]phenoxy]ethanoate Openeye Name: ethyl 2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-vinyl]phenoxy]acetate CAS Name: 2-[4-[2-(1,3-benzothiazol-2-ylthio)-2-cyanoethenyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyanoethenyl]phenoxy]acetate Traditional Name: 2-[4-[2-(1,3-benzothiazol-2-ylthio)-2-cyano-vinyl]phenoxy]acetic acid ethyl ester Formula: C20H16N2O3S2 MolecularWeight: 396.48264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O3S2/c1-2-24-19(23)13-25-15-9-7-14(8-10-15)11-16(12-21)26-20-22-17-5-3-4-6-18(17)27-20/h3-11H,2,13H2,1H3