methyl 4-[2-(1,3-dithiolan-2-yl)cyclopentyl]but-2-ynoate

Systemtic Name: methyl 4-[2-(1,3-dithiolan-2-yl)cyclopentyl]but-2-ynoate Openeye Name: methyl 4-[2-(1,3-dithiolan-2-yl)cyclopentyl]but-2-ynoate CAS Name: 4-[2-(1,3-dithiolan-2-yl)cyclopentyl]-2-butynoic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-dithiolan-2-yl)cyclopentyl]but-2-ynoate Traditional Name: 4-[2-(1,3-dithiolan-2-yl)cyclopentyl]but-2-ynoic acid methyl ester Formula: C13H18O2S2 MolecularWeight: 270.41082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CCC1CCCC1C2SCCS2

Isomeric SMILES

COC(=O)C#CCC1CCCC1C2SCCS2

InChI

InChI=1S/C13H18O2S2/c1-15-12(14)7-3-5-10-4-2-6-11(10)13-16-8-9-17-13/h10-11,13H,2,4-6,8-9H2,1H3