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

Systemtic Name: (E)-6-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]-1-(3-thiophen-3-ylphenyl)hex-1-en-3-one Openeye Name: (E)-6-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]-1-[3-(3-thienyl)phenyl]hex-1-en-3-one CAS Name: (E)-6-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]-1-[3-(3-thiophenyl)phenyl]-1-hexen-3-one IUPAC Name: (E)-6-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]-1-(3-thiophen-3-ylphenyl)hex-1-en-3-one Traditional Name: (E)-6-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]-1-[3-(3-thienyl)phenyl]hex-1-en-3-one Formula: C27H33NOS MolecularWeight: 419.62202

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCC(=O)C=CC1=CC=CC(=C1)C2=CSC=C2)CC=CC#CC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H33NOS/c1-5-28(18-8-6-7-17-27(2,3)4)19-10-13-26(29)15-14-23-11-9-12-24(21-23)25-16-20-30-22-25/h6,8-9,11-12,14-16,20-22H,5,10,13,18-19H2,1-4H3/b8-6+,15-14+