(E)-N-ethyl-N-[[3-(furan-3-ylmethoxy)-5-thiophen-3-yl-phenyl]methyl]-6,6-dimethyl-hept-2-en-4-yn-1-amine

Systemtic Name: (E)-N-ethyl-N-[[3-(furan-3-ylmethoxy)-5-thiophen-3-yl-phenyl]methyl]-6,6-dimethyl-hept-2-en-4-yn-1-amine Openeye Name: (E)-N-ethyl-N-[[3-(3-furylmethoxy)-5-(3-thienyl)phenyl]methyl]-6,6-dimethyl-hept-2-en-4-yn-1-amine CAS Name: (E)-N-ethyl-N-[[3-(3-furanylmethoxy)-5-(3-thiophenyl)phenyl]methyl]-6,6-dimethyl-1-hept-2-en-4-ynamine IUPAC Name: (E)-N-ethyl-N-[[3-(furan-3-ylmethoxy)-5-thiophen-3-ylphenyl]methyl]-6,6-dimethylhept-2-en-4-yn-1-amine Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-[3-(3-furfuryloxy)-5-(3-thienyl)benzyl]amine Formula: C27H31NO2S MolecularWeight: 433.60554

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=CC#CC(C)(C)C)CC1=CC(=CC(=C1)C2=CSC=C2)OCC3=COC=C3

Isomeric SMILES

CCN(C/C=C/C#CC(C)(C)C)CC1=CC(=CC(=C1)C2=CSC=C2)OCC3=COC=C3

InChI

InChI=1S/C27H31NO2S/c1-5-28(12-8-6-7-11-27(2,3)4)18-23-15-25(24-10-14-31-21-24)17-26(16-23)30-20-22-9-13-29-19-22/h6,8-10,13-17,19,21H,5,12,18,20H2,1-4H3/b8-6+