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

Systemtic Name: (E)-6-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]-1-oxidanyl-1-(3-thiophen-3-ylphenyl)hex-5-en-3-one Openeye Name: (E)-6-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]-1-hydroxy-1-[3-(3-thienyl)phenyl]hex-5-en-3-one CAS Name: (E)-6-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]-1-hydroxy-1-[3-(3-thiophenyl)phenyl]-5-hexen-3-one IUPAC Name: (E)-6-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]-1-hydroxy-1-(3-thiophen-3-ylphenyl)hex-5-en-3-one Traditional Name: (E)-6-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]-1-hydroxy-1-[3-(3-thienyl)phenyl]hex-5-en-3-one Formula: C27H33NO2S MolecularWeight: 435.62142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33NO2S/c1-5-28(16-8-6-7-15-27(2,3)4)17-10-13-25(29)20-26(30)23-12-9-11-22(19-23)24-14-18-31-21-24/h6,8-12,14,17-19,21,26,30H,5,13,16,20H2,1-4H3/b8-6+,17-10+