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

Systemtic Name: (E)-6-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]-1-oxidanyl-4-(2-thiophen-3-ylphenyl)hex-5-en-3-one Openeye Name: (E)-6-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]-1-hydroxy-4-[2-(3-thienyl)phenyl]hex-5-en-3-one CAS Name: (E)-6-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]-1-hydroxy-4-[2-(3-thiophenyl)phenyl]-5-hexen-3-one IUPAC Name: (E)-6-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]-1-hydroxy-4-(2-thiophen-3-ylphenyl)hex-5-en-3-one Traditional Name: (E)-6-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]-1-hydroxy-4-[2-(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=CC(C1=CC=CC=C1C2=CSC=C2)C(=O)CCO

Isomeric SMILES

CCN(C/C=C/C#CC(C)(C)C)/C=C/C(C1=CC=CC=C1C2=CSC=C2)C(=O)CCO

InChI

InChI=1S/C27H33NO2S/c1-5-28(17-10-6-9-16-27(2,3)4)18-13-25(26(30)14-19-29)24-12-8-7-11-23(24)22-15-20-31-21-22/h6-8,10-13,15,18,20-21,25,29H,5,14,17,19H2,1-4H3/b10-6+,18-13+