(E)-N-[(5-chloranyl-1-benzothiophen-3-yl)methyl]-N,6,6-trimethyl-hept-2-en-4-yn-1-amine

Systemtic Name: (E)-N-[(5-chloranyl-1-benzothiophen-3-yl)methyl]-N,6,6-trimethyl-hept-2-en-4-yn-1-amine Openeye Name: (E)-N-[(5-chlorobenzothiophen-3-yl)methyl]-N,6,6-trimethyl-hept-2-en-4-yn-1-amine CAS Name: (E)-N-[(5-chloro-1-benzothiophen-3-yl)methyl]-N,6,6-trimethyl-1-hept-2-en-4-ynamine IUPAC Name: (E)-N-[(5-chloro-1-benzothiophen-3-yl)methyl]-N,6,6-trimethylhept-2-en-4-yn-1-amine Traditional Name: (5-chlorobenzothiophen-3-yl)methyl-[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amine Formula: C19H22ClNS MolecularWeight: 331.90268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCN(C)CC1=CSC2=C1C=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C#C/C=C/CN(C)CC1=CSC2=C1C=C(C=C2)Cl

InChI

InChI=1S/C19H22ClNS/c1-19(2,3)10-6-5-7-11-21(4)13-15-14-22-18-9-8-16(20)12-17(15)18/h5,7-9,12,14H,11,13H2,1-4H3/b7-5+