[(Z)-4-methyloct-4-en-1,7-diyn-3-yl] 2-(1-benzothiophen-2-yl)-3-methyl-butanoate

Systemtic Name: [(Z)-4-methyloct-4-en-1,7-diyn-3-yl] 2-(1-benzothiophen-2-yl)-3-methyl-butanoate Openeye Name: [(Z)-1-ethynyl-2-methyl-hex-2-en-5-ynyl] 2-(benzothiophen-2-yl)-3-methyl-butanoate CAS Name: 2-(1-benzothiophen-2-yl)-3-methylbutanoic acid [(Z)-4-methyloct-4-en-1,7-diyn-3-yl] ester IUPAC Name: [(Z)-4-methyloct-4-en-1,7-diyn-3-yl] 2-(1-benzothiophen-2-yl)-3-methylbutanoate Traditional Name: 2-(benzothiophen-2-yl)-3-methyl-butyric acid [(Z)-1-ethynyl-2-methyl-hex-2-en-5-ynyl] ester Formula: C22H22O2S MolecularWeight: 350.47388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=CC=CC=C2S1)C(=O)OC(C#C)C(=CCC#C)C

Isomeric SMILES

CC(C)C(C1=CC2=CC=CC=C2S1)C(=O)OC(C#C)/C(=C\CC#C)/C

InChI

InChI=1S/C22H22O2S/c1-6-8-11-16(5)18(7-2)24-22(23)21(15(3)4)20-14-17-12-9-10-13-19(17)25-20/h1-2,9-15,18,21H,8H2,3-5H3/b16-11-