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

Systemtic Name: (E)-5-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-3-methylsulfanyl-2-naphthalen-1-yl-5-oxidanylidene-pent-2-enenitrile Openeye Name: (E)-5-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-3-methylsulfanyl-2-(1-naphthyl)-5-oxo-pent-2-enenitrile CAS Name: (E)-5-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-3-(methylthio)-2-(1-naphthalenyl)-5-oxo-2-pentenenitrile IUPAC Name: (E)-5-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-3-methylsulfanyl-2-naphthalen-1-yl-5-oxopent-2-enenitrile Traditional Name: (E)-5-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-5-keto-3-(methylthio)-2-(1-naphthyl)pent-2-enenitrile Formula: C27H25NO3S MolecularWeight: 443.5573

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC2C(=O)CC(=C(C#N)C3=CC=CC4=CC=CC=C43)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2C[C@H]2C(=O)C/C(=C(\C#N)/C3=CC=CC4=CC=CC=C43)/SC)OC

InChI

InChI=1S/C27H25NO3S/c1-30-25-12-11-18(13-26(25)31-2)21-14-22(21)24(29)15-27(32-3)23(16-28)20-10-6-8-17-7-4-5-9-19(17)20/h4-13,21-22H,14-15H2,1-3H3/b27-23-/t21-,22+/m0/s1