(E)-N-ethyl-6,6-dimethyl-hept-2-en-4-yn-1-amine; 2-[(E)-2-(2-thiophen-3-ylphenyl)ethenyl]cyclobutan-1-one

Systemtic Name: (E)-N-ethyl-6,6-dimethyl-hept-2-en-4-yn-1-amine; 2-[(E)-2-(2-thiophen-3-ylphenyl)ethenyl]cyclobutan-1-one Openeye Name: (E)-N-ethyl-6,6-dimethyl-hept-2-en-4-yn-1-amine; 2-[(E)-2-[2-(3-thienyl)phenyl]vinyl]cyclobutanone CAS Name: (E)-N-ethyl-6,6-dimethyl-1-hept-2-en-4-ynamine; 2-[(E)-2-[2-(3-thiophenyl)phenyl]ethenyl]-1-cyclobutanone IUPAC Name: (E)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine; 2-[(E)-2-(2-thiophen-3-ylphenyl)ethenyl]cyclobutan-1-one Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amine; 2-[(E)-2-[2-(3-thienyl)phenyl]vinyl]cyclobutanone Formula: C27H33NOS MolecularWeight: 419.62202

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC=CC#CC(C)(C)C.C1CC(=O)C1C=CC2=CC=CC=C2C3=CSC=C3

Isomeric SMILES

CCNC/C=C/C#CC(C)(C)C.C1CC(=O)C1/C=C/C2=CC=CC=C2C3=CSC=C3

InChI

InChI=1S/C16H14OS.C11H19N/c17-16-8-7-13(16)6-5-12-3-1-2-4-15(12)14-9-10-18-11-14;1-5-12-10-8-6-7-9-11(2,3)4/h1-6,9-11,13H,7-8H2;6,8,12H,5,10H2,1-4H3/b6-5+;8-6+