(E)-N-[(2-fluoranyl-1-benzothiophen-7-yl)methyl]-N,6,6-trimethyl-hept-2-en-4-yn-1-amine

Systemtic Name: (E)-N-[(2-fluoranyl-1-benzothiophen-7-yl)methyl]-N,6,6-trimethyl-hept-2-en-4-yn-1-amine Openeye Name: (E)-N-[(2-fluorobenzothiophen-7-yl)methyl]-N,6,6-trimethyl-hept-2-en-4-yn-1-amine CAS Name: (E)-N-[(2-fluoro-1-benzothiophen-7-yl)methyl]-N,6,6-trimethyl-1-hept-2-en-4-ynamine IUPAC Name: (E)-N-[(2-fluoro-1-benzothiophen-7-yl)methyl]-N,6,6-trimethylhept-2-en-4-yn-1-amine Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-[(2-fluorobenzothiophen-7-yl)methyl]-methyl-amine Formula: C19H22FNS MolecularWeight: 315.448083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCN(C)CC1=CC=CC2=C1SC(=C2)F

Isomeric SMILES

CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=C1SC(=C2)F

InChI

InChI=1S/C19H22FNS/c1-19(2,3)11-6-5-7-12-21(4)14-16-10-8-9-15-13-17(20)22-18(15)16/h5,7-10,13H,12,14H2,1-4H3/b7-5+