(E)-5-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-3-methylsulfanyl-5-oxidanylidene-2-phenyl-pent-2-enenitrile

Systemtic Name: (E)-5-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-3-methylsulfanyl-5-oxidanylidene-2-phenyl-pent-2-enenitrile Openeye Name: (E)-5-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-3-methylsulfanyl-5-oxo-2-phenyl-pent-2-enenitrile CAS Name: (E)-5-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-3-(methylthio)-5-oxo-2-phenyl-2-pentenenitrile IUPAC Name: (E)-5-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-3-methylsulfanyl-5-oxo-2-phenylpent-2-enenitrile Traditional Name: (E)-5-keto-5-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-3-(methylthio)-2-phenyl-pent-2-enenitrile Formula: C22H21NO2S MolecularWeight: 363.47264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC2C(=O)CC(=C(C#N)C3=CC=CC=C3)SC

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO2S/c1-25-17-10-8-16(9-11-17)18-12-19(18)21(24)13-22(26-2)20(14-23)15-6-4-3-5-7-15/h3-11,18-19H,12-13H2,1-2H3/b22-20-/t18-,19+/m0/s1