(E)-N-ethyl-6,6-dimethyl-N-[(E)-5-(3-thiophen-3-ylphenoxy)pent-2-enyl]hept-2-en-4-yn-1-amine

Systemtic Name: (E)-N-ethyl-6,6-dimethyl-N-[(E)-5-(3-thiophen-3-ylphenoxy)pent-2-enyl]hept-2-en-4-yn-1-amine Openeye Name: (E)-N-ethyl-6,6-dimethyl-N-[(E)-5-[3-(3-thienyl)phenoxy]pent-2-enyl]hept-2-en-4-yn-1-amine CAS Name: (E)-N-ethyl-6,6-dimethyl-N-[(E)-5-[3-(3-thiophenyl)phenoxy]pent-2-enyl]-1-hept-2-en-4-ynamine IUPAC Name: (E)-N-ethyl-6,6-dimethyl-N-[(E)-5-(3-thiophen-3-ylphenoxy)pent-2-enyl]hept-2-en-4-yn-1-amine Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-[(E)-5-[3-(3-thienyl)phenoxy]pent-2-enyl]amine Formula: C26H33NOS MolecularWeight: 407.61132

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=CCCOC1=CC=CC(=C1)C2=CSC=C2)CC=CC#CC(C)(C)C

Isomeric SMILES

CCN(C/C=C/CCOC1=CC=CC(=C1)C2=CSC=C2)C/C=C/C#CC(C)(C)C

InChI

InChI=1S/C26H33NOS/c1-5-27(17-9-6-8-16-26(2,3)4)18-10-7-11-19-28-25-14-12-13-23(21-25)24-15-20-29-22-24/h6-7,9-10,12-15,20-22H,5,11,17-19H2,1-4H3/b9-6+,10-7+