(E)-N,6,6-trimethyl-N-[[3-[[3-(thiolan-3-yl)phenyl]methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine

Systemtic Name: (E)-N,6,6-trimethyl-N-[[3-[[3-(thiolan-3-yl)phenyl]methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine Openeye Name: (E)-N,6,6-trimethyl-N-[[3-[(3-tetrahydrothiophen-3-ylphenyl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine CAS Name: (E)-N,6,6-trimethyl-N-[[3-[[3-(3-thiolanyl)phenyl]methoxy]phenyl]methyl]-1-hept-2-en-4-ynamine IUPAC Name: (E)-N,6,6-trimethyl-N-[[3-[[3-(thiolan-3-yl)phenyl]methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-[3-(3-tetrahydrothiophen-3-ylbenzyl)oxybenzyl]amine Formula: C28H35NOS MolecularWeight: 433.6486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCN(C)CC1=CC(=CC=C1)OCC2=CC=CC(=C2)C3CCSC3

Isomeric SMILES

CC(C)(C)C#C/C=C/CN(C)CC1=CC(=CC=C1)OCC2=CC=CC(=C2)C3CCSC3

InChI

InChI=1S/C28H35NOS/c1-28(2,3)15-6-5-7-16-29(4)20-23-10-9-13-27(19-23)30-21-24-11-8-12-25(18-24)26-14-17-31-22-26/h5,7-13,18-19,26H,14,16-17,20-22H2,1-4H3/b7-5+