N-ethyl-6,6-dimethyl-N-[[3-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]phenyl]methyl]hept-4-yn-1-amine

Systemtic Name: N-ethyl-6,6-dimethyl-N-[[3-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]phenyl]methyl]hept-4-yn-1-amine Openeye Name: N-ethyl-6,6-dimethyl-N-[[3-[[(E)-3-(3-thienyl)allyloxy]methyl]phenyl]methyl]hept-4-yn-1-amine CAS Name: N-ethyl-6,6-dimethyl-N-[[3-[[(E)-3-(3-thiophenyl)prop-2-enoxy]methyl]phenyl]methyl]-4-heptyn-1-amine IUPAC Name: N-ethyl-6,6-dimethyl-N-[[3-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]phenyl]methyl]hept-4-yn-1-amine Traditional Name: 6,6-dimethylhept-4-ynyl-ethyl-[3-[[(E)-3-(3-thienyl)allyloxy]methyl]benzyl]amine Formula: C26H35NOS MolecularWeight: 409.6272

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCC#CC(C)(C)C)CC1=CC(=CC=C1)COCC=CC2=CSC=C2

Isomeric SMILES

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

InChI

InChI=1S/C26H35NOS/c1-5-27(16-8-6-7-15-26(2,3)4)20-24-11-9-12-25(19-24)21-28-17-10-13-23-14-18-29-22-23/h9-14,18-19,22H,5-6,8,16-17,20-21H2,1-4H3/b13-10+