[2-(3-methylbutanoyloxy)-4-(5-thiophen-2-ylthiophen-2-yl)but-3-ynyl] 3-methylbutanoate

Systemtic Name: [2-(3-methylbutanoyloxy)-4-(5-thiophen-2-ylthiophen-2-yl)but-3-ynyl] 3-methylbutanoate Openeye Name: [2-(3-methylbutanoyloxy)-4-[5-(2-thienyl)-2-thienyl]but-3-ynyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [2-(3-methyl-1-oxobutoxy)-4-(5-thiophen-2-yl-2-thiophenyl)but-3-ynyl] ester IUPAC Name: [2-(3-methylbutanoyloxy)-4-(5-thiophen-2-ylthiophen-2-yl)but-3-ynyl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [2-isovaleryloxy-4-[5-(2-thienyl)-2-thienyl]but-3-ynyl] ester Formula: C22H26O4S2 MolecularWeight: 418.56944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OCC(C#CC1=CC=C(S1)C2=CC=CS2)OC(=O)CC(C)C

Isomeric SMILES

CC(C)CC(=O)OCC(C#CC1=CC=C(S1)C2=CC=CS2)OC(=O)CC(C)C

InChI

InChI=1S/C22H26O4S2/c1-15(2)12-21(23)25-14-17(26-22(24)13-16(3)4)7-8-18-9-10-20(28-18)19-6-5-11-27-19/h5-6,9-11,15-17H,12-14H2,1-4H3