1-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]-5-(3-thiophen-3-ylphenoxy)pentan-3-one

Systemtic Name: 1-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]-5-(3-thiophen-3-ylphenoxy)pentan-3-one Openeye Name: 1-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]-5-[3-(3-thienyl)phenoxy]pentan-3-one CAS Name: 1-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]-5-[3-(3-thiophenyl)phenoxy]-3-pentanone IUPAC Name: 1-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]-5-(3-thiophen-3-ylphenoxy)pentan-3-one Traditional Name: 1-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]-5-[3-(3-thienyl)phenoxy]pentan-3-one Formula: C26H33NO2S MolecularWeight: 423.61072

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)CCOC1=CC=CC(=C1)C2=CSC=C2)CC=CC#CC(C)(C)C

Isomeric SMILES

CCN(CCC(=O)CCOC1=CC=CC(=C1)C2=CSC=C2)C/C=C/C#CC(C)(C)C

InChI

InChI=1S/C26H33NO2S/c1-5-27(16-8-6-7-15-26(2,3)4)17-12-24(28)13-18-29-25-11-9-10-22(20-25)23-14-19-30-21-23/h6,8-11,14,19-21H,5,12-13,16-18H2,1-4H3/b8-6+