(E)-2-[(3,4-dimethoxyphenyl)methyl]-8-ethoxy-4,8-dimethyl-7-phenylsulfanyl-non-3-enenitrile

Systemtic Name: (E)-2-[(3,4-dimethoxyphenyl)methyl]-8-ethoxy-4,8-dimethyl-7-phenylsulfanyl-non-3-enenitrile Openeye Name: (E)-2-[(3,4-dimethoxyphenyl)methyl]-8-ethoxy-4,8-dimethyl-7-phenylsulfanyl-non-3-enenitrile CAS Name: (E)-2-[(3,4-dimethoxyphenyl)methyl]-8-ethoxy-4,8-dimethyl-7-(phenylthio)-3-nonenenitrile IUPAC Name: (E)-2-[(3,4-dimethoxyphenyl)methyl]-8-ethoxy-4,8-dimethyl-7-phenylsulfanylnon-3-enenitrile Traditional Name: (E)-8-ethoxy-4,8-dimethyl-7-(phenylthio)-2-veratryl-non-3-enenitrile Formula: C28H37NO3S MolecularWeight: 467.66328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)(C)C(CCC(=CC(CC1=CC(=C(C=C1)OC)OC)C#N)C)SC2=CC=CC=C2

Isomeric SMILES

CCOC(C)(C)C(CC/C(=C/C(CC1=CC(=C(C=C1)OC)OC)C#N)/C)SC2=CC=CC=C2

InChI

InChI=1S/C28H37NO3S/c1-7-32-28(3,4)27(33-24-11-9-8-10-12-24)16-13-21(2)17-23(20-29)18-22-14-15-25(30-5)26(19-22)31-6/h8-12,14-15,17,19,23,27H,7,13,16,18H2,1-6H3/b21-17+