2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]-2-(3-thiophen-3-ylphenyl)pent-4-enamide

Systemtic Name: 2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]-2-(3-thiophen-3-ylphenyl)pent-4-enamide Openeye Name: 2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]-2-[3-(3-thienyl)phenyl]pent-4-enamide CAS Name: 2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]-2-[3-(3-thiophenyl)phenyl]-4-pentenamide IUPAC Name: 2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]-2-(3-thiophen-3-ylphenyl)pent-4-enamide Traditional Name: 2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]-2-[3-(3-thienyl)phenyl]pent-4-enamide Formula: C26H32N2OS MolecularWeight: 420.61008

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=CC#CC(C)(C)C)C(CC=C)(C1=CC=CC(=C1)C2=CSC=C2)C(=O)N

Isomeric SMILES

CCN(C/C=C/C#CC(C)(C)C)C(CC=C)(C1=CC=CC(=C1)C2=CSC=C2)C(=O)N

InChI

InChI=1S/C26H32N2OS/c1-6-15-26(24(27)29,28(7-2)17-10-8-9-16-25(3,4)5)23-13-11-12-21(19-23)22-14-18-30-20-22/h6,8,10-14,18-20H,1,7,15,17H2,2-5H3,(H2,27,29)/b10-8+