(E)-N-ethyl-6,6-dimethyl-N-[(E)-4-[(3-thiophen-3-ylphenyl)methoxy]but-2-enyl]hept-2-en-4-yn-1-amine

Systemtic Name: (E)-N-ethyl-6,6-dimethyl-N-[(E)-4-[(3-thiophen-3-ylphenyl)methoxy]but-2-enyl]hept-2-en-4-yn-1-amine Openeye Name: (E)-N-ethyl-6,6-dimethyl-N-[(E)-4-[[3-(3-thienyl)phenyl]methoxy]but-2-enyl]hept-2-en-4-yn-1-amine CAS Name: (E)-N-ethyl-6,6-dimethyl-N-[(E)-4-[[3-(3-thiophenyl)phenyl]methoxy]but-2-enyl]-1-hept-2-en-4-ynamine IUPAC Name: (E)-N-ethyl-6,6-dimethyl-N-[(E)-4-[(3-thiophen-3-ylphenyl)methoxy]but-2-enyl]hept-2-en-4-yn-1-amine Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-[(E)-4-[3-(3-thienyl)benzyl]oxybut-2-enyl]amine Formula: C26H33NOS MolecularWeight: 407.61132

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=CCOCC1=CC=CC(=C1)C2=CSC=C2)CC=CC#CC(C)(C)C

Isomeric SMILES

CCN(C/C=C/COCC1=CC=CC(=C1)C2=CSC=C2)C/C=C/C#CC(C)(C)C

InChI

InChI=1S/C26H33NOS/c1-5-27(16-8-6-7-15-26(2,3)4)17-9-10-18-28-21-23-12-11-13-24(20-23)25-14-19-29-22-25/h6,8-14,19-20,22H,5,16-18,21H2,1-4H3/b8-6+,10-9+