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

Systemtic Name: (E)-N-[(2-chloranyl-1-benzothiophen-3-yl)methyl]-N,6,6-trimethyl-hept-2-en-4-yn-1-amine Openeye Name: (E)-N-[(2-chlorobenzothiophen-3-yl)methyl]-N,6,6-trimethyl-hept-2-en-4-yn-1-amine CAS Name: (E)-N-[(2-chloro-1-benzothiophen-3-yl)methyl]-N,6,6-trimethyl-1-hept-2-en-4-ynamine IUPAC Name: (E)-N-[(2-chloro-1-benzothiophen-3-yl)methyl]-N,6,6-trimethylhept-2-en-4-yn-1-amine Traditional Name: (2-chlorobenzothiophen-3-yl)methyl-[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amine Formula: C19H22ClNS MolecularWeight: 331.90268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCN(C)CC1=C(SC2=CC=CC=C21)Cl

Isomeric SMILES

CC(C)(C)C#C/C=C/CN(C)CC1=C(SC2=CC=CC=C21)Cl

InChI

InChI=1S/C19H22ClNS/c1-19(2,3)12-8-5-9-13-21(4)14-16-15-10-6-7-11-17(15)22-18(16)20/h5-7,9-11H,13-14H2,1-4H3/b9-5+