[(Z)-4-methyloct-4-en-1,7-diyn-3-yl] 3-methyl-2-(5-methylthiophen-3-yl)butanoate

Systemtic Name: [(Z)-4-methyloct-4-en-1,7-diyn-3-yl] 3-methyl-2-(5-methylthiophen-3-yl)butanoate Openeye Name: [(Z)-1-ethynyl-2-methyl-hex-2-en-5-ynyl] 3-methyl-2-(5-methyl-3-thienyl)butanoate CAS Name: 3-methyl-2-(5-methyl-3-thiophenyl)butanoic acid [(Z)-4-methyloct-4-en-1,7-diyn-3-yl] ester IUPAC Name: [(Z)-4-methyloct-4-en-1,7-diyn-3-yl] 3-methyl-2-(5-methylthiophen-3-yl)butanoate Traditional Name: 3-methyl-2-(5-methyl-3-thienyl)butyric acid [(Z)-1-ethynyl-2-methyl-hex-2-en-5-ynyl] ester Formula: C19H22O2S MolecularWeight: 314.44178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CS1)C(C(C)C)C(=O)OC(C#C)C(=CCC#C)C

Isomeric SMILES

CC1=CC(=CS1)C(C(C)C)C(=O)OC(C#C)/C(=C\CC#C)/C

InChI

InChI=1S/C19H22O2S/c1-7-9-10-14(5)17(8-2)21-19(20)18(13(3)4)16-11-15(6)22-12-16/h1-2,10-13,17-18H,9H2,3-6H3/b14-10-