methyl 2-hexylsulfanyl-2-thiophen-2-yl-ethanoate

Systemtic Name: methyl 2-hexylsulfanyl-2-thiophen-2-yl-ethanoate Openeye Name: methyl 2-hexylsulfanyl-2-(2-thienyl)acetate CAS Name: 2-(hexylthio)-2-thiophen-2-ylacetic acid methyl ester IUPAC Name: methyl 2-hexylsulfanyl-2-thiophen-2-ylacetate Traditional Name: 2-(hexylthio)-2-(2-thienyl)acetic acid methyl ester Formula: C13H20O2S2 MolecularWeight: 272.4267

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(C1=CC=CS1)C(=O)OC

Isomeric SMILES

CCCCCCSC(C1=CC=CS1)C(=O)OC

InChI

InChI=1S/C13H20O2S2/c1-3-4-5-6-9-17-12(13(14)15-2)11-8-7-10-16-11/h7-8,10,12H,3-6,9H2,1-2H3