methyl 2-[(Z)-1-(4-tert-butylphenyl)-2-cyano-2-ethylsulfanyl-ethenoxy]benzoate

Systemtic Name: methyl 2-[(Z)-1-(4-tert-butylphenyl)-2-cyano-2-ethylsulfanyl-ethenoxy]benzoate Openeye Name: methyl 2-[(Z)-1-(4-tert-butylphenyl)-2-cyano-2-ethylsulfanyl-vinyloxy]benzoate CAS Name: 2-[(Z)-1-(4-tert-butylphenyl)-2-cyano-2-(ethylthio)ethenoxy]benzoic acid methyl ester IUPAC Name: methyl 2-[(Z)-1-(4-tert-butylphenyl)-2-cyano-2-ethylsulfanylethenoxy]benzoate Traditional Name: 2-[(Z)-1-(4-tert-butylphenyl)-2-cyano-2-(ethylthio)vinyloxy]benzoic acid methyl ester Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=C(C1=CC=C(C=C1)C(C)(C)C)OC2=CC=CC=C2C(=O)OC)C#N

Isomeric SMILES

CCS/C(=C(/C1=CC=C(C=C1)C(C)(C)C)\OC2=CC=CC=C2C(=O)OC)/C#N

InChI

InChI=1S/C23H25NO3S/c1-6-28-20(15-24)21(16-11-13-17(14-12-16)23(2,3)4)27-19-10-8-7-9-18(19)22(25)26-5/h7-14H,6H2,1-5H3/b21-20-