(E)-2-(3,4-dimethoxyphenyl)-3-methylsulfanyl-5-oxidanylidene-5-[(1R,2R)-2-phenylcyclopropyl]pent-2-enenitrile

Systemtic Name: (E)-2-(3,4-dimethoxyphenyl)-3-methylsulfanyl-5-oxidanylidene-5-[(1R,2R)-2-phenylcyclopropyl]pent-2-enenitrile Openeye Name: (E)-2-(3,4-dimethoxyphenyl)-3-methylsulfanyl-5-oxo-5-[(1R,2R)-2-phenylcyclopropyl]pent-2-enenitrile CAS Name: (E)-2-(3,4-dimethoxyphenyl)-3-(methylthio)-5-oxo-5-[(1R,2R)-2-phenylcyclopropyl]-2-pentenenitrile IUPAC Name: (E)-2-(3,4-dimethoxyphenyl)-3-methylsulfanyl-5-oxo-5-[(1R,2R)-2-phenylcyclopropyl]pent-2-enenitrile Traditional Name: (E)-2-(3,4-dimethoxyphenyl)-5-keto-3-(methylthio)-5-[(1R,2R)-2-phenylcyclopropyl]pent-2-enenitrile Formula: C23H23NO3S MolecularWeight: 393.49862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=C(CC(=O)C2CC2C3=CC=CC=C3)SC)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C(=C(/CC(=O)[C@@H]2C[C@H]2C3=CC=CC=C3)\SC)/C#N)OC

InChI

InChI=1S/C23H23NO3S/c1-26-21-10-9-16(11-22(21)27-2)19(14-24)23(28-3)13-20(25)18-12-17(18)15-7-5-4-6-8-15/h4-11,17-18H,12-13H2,1-3H3/b23-19-/t17-,18+/m0/s1