butyl 4-[[(Z)-2-[(4-butoxycarbonylphenyl)methylsulfanyl]-1,2-dicyano-ethenyl]sulfanylmethyl]benzoate

Systemtic Name: butyl 4-[[(Z)-2-[(4-butoxycarbonylphenyl)methylsulfanyl]-1,2-dicyano-ethenyl]sulfanylmethyl]benzoate Openeye Name: butyl 4-[[(Z)-2-[(4-butoxycarbonylphenyl)methylsulfanyl]-1,2-dicyano-vinyl]sulfanylmethyl]benzoate CAS Name: 4-[[[(Z)-2-[[4-[butoxy(oxo)methyl]phenyl]methylthio]-1,2-dicyanoethenyl]thio]methyl]benzoic acid butyl ester IUPAC Name: butyl 4-[[(Z)-2-[(4-butoxycarbonylphenyl)methylsulfanyl]-1,2-dicyanoethenyl]sulfanylmethyl]benzoate Traditional Name: 4-[[[(Z)-2-[(4-butoxycarbonylbenzyl)thio]-1,2-dicyano-vinyl]thio]methyl]benzoic acid butyl ester Formula: C28H30N2O4S2 MolecularWeight: 522.6788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)CSC(=C(C#N)SCC2=CC=C(C=C2)C(=O)OCCCC)C#N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)CS/C(=C(/C#N)\SCC2=CC=C(C=C2)C(=O)OCCCC)/C#N

InChI

InChI=1S/C28H30N2O4S2/c1-3-5-15-33-27(31)23-11-7-21(8-12-23)19-35-25(17-29)26(18-30)36-20-22-9-13-24(14-10-22)28(32)34-16-6-4-2/h7-14H,3-6,15-16,19-20H2,1-2H3/b26-25-