2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]ethyl (E)-3-(3-thiophen-3-ylphenyl)prop-2-enoate

Systemtic Name: 2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]ethyl (E)-3-(3-thiophen-3-ylphenyl)prop-2-enoate Openeye Name: 2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]ethyl (E)-3-[3-(3-thienyl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-(3-thiophenyl)phenyl]-2-propenoic acid 2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]ethyl ester IUPAC Name: 2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]ethyl (E)-3-(3-thiophen-3-ylphenyl)prop-2-enoate Traditional Name: (E)-3-[3-(3-thienyl)phenyl]acrylic acid 2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]ethyl ester Formula: C26H31NO2S MolecularWeight: 421.59484

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCOC(=O)C=CC1=CC=CC(=C1)C2=CSC=C2)CC=CC#CC(C)(C)C

Isomeric SMILES

CCN(CCOC(=O)/C=C/C1=CC=CC(=C1)C2=CSC=C2)C/C=C/C#CC(C)(C)C

InChI

InChI=1S/C26H31NO2S/c1-5-27(16-8-6-7-15-26(2,3)4)17-18-29-25(28)13-12-22-10-9-11-23(20-22)24-14-19-30-21-24/h6,8-14,19-21H,5,16-18H2,1-4H3/b8-6+,13-12+