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

Systemtic Name: [(Z)-4-methyloct-4-en-1,7-diyn-3-yl] 2-(5-chloranylthiophen-2-yl)-3-methyl-butanoate Openeye Name: [(Z)-1-ethynyl-2-methyl-hex-2-en-5-ynyl] 2-(5-chloro-2-thienyl)-3-methyl-butanoate CAS Name: 2-(5-chloro-2-thiophenyl)-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-(5-chlorothiophen-2-yl)-3-methylbutanoate Traditional Name: 2-(5-chloro-2-thienyl)-3-methyl-butyric acid [(Z)-1-ethynyl-2-methyl-hex-2-en-5-ynyl] ester Formula: C18H19ClO2S MolecularWeight: 334.86026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(S1)Cl)C(=O)OC(C#C)C(=CCC#C)C

Isomeric SMILES

CC(C)C(C1=CC=C(S1)Cl)C(=O)OC(C#C)/C(=C\CC#C)/C

InChI

InChI=1S/C18H19ClO2S/c1-6-8-9-13(5)14(7-2)21-18(20)17(12(3)4)15-10-11-16(19)22-15/h1-2,9-12,14,17H,8H2,3-5H3/b13-9-