ethyl 1-butylsulfanylcarbothioyl-2-oxidanylidene-cyclopentane-1-carboxylate

Systemtic Name: ethyl 1-butylsulfanylcarbothioyl-2-oxidanylidene-cyclopentane-1-carboxylate Openeye Name: ethyl 1-butylsulfanylcarbothioyl-2-oxo-cyclopentanecarboxylate CAS Name: 1-[(butylthio)-sulfanylidenemethyl]-2-oxo-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butylsulfanylcarbothioyl-2-oxocyclopentane-1-carboxylate Traditional Name: 1-(butylthio)carbothioyl-2-keto-cyclopentanecarboxylic acid ethyl ester Formula: C13H20O3S2 MolecularWeight: 288.4261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=S)C1(CCCC1=O)C(=O)OCC

Isomeric SMILES

CCCCSC(=S)C1(CCCC1=O)C(=O)OCC

InChI

InChI=1S/C13H20O3S2/c1-3-5-9-18-12(17)13(11(15)16-4-2)8-6-7-10(13)14/h3-9H2,1-2H3