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

Systemtic Name: 4-(5-thiophen-2-ylthiophen-2-yl)but-3-ynyl 3-methylbutanoate Openeye Name: 4-[5-(2-thienyl)-2-thienyl]but-3-ynyl 3-methylbutanoate CAS Name: 3-methylbutanoic acid 4-(5-thiophen-2-yl-2-thiophenyl)but-3-ynyl ester IUPAC Name: 4-(5-thiophen-2-ylthiophen-2-yl)but-3-ynyl 3-methylbutanoate Traditional Name: 3-methylbutyric acid 4-[5-(2-thienyl)-2-thienyl]but-3-ynyl ester Formula: C17H18O2S2 MolecularWeight: 318.45362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OCCC#CC1=CC=C(S1)C2=CC=CS2

Isomeric SMILES

CC(C)CC(=O)OCCC#CC1=CC=C(S1)C2=CC=CS2

InChI

InChI=1S/C17H18O2S2/c1-13(2)12-17(18)19-10-4-3-6-14-8-9-16(21-14)15-7-5-11-20-15/h5,7-9,11,13H,4,10,12H2,1-2H3