[5-(1-methylsulfanylcyclopropyl)-3-oxidanylidene-cyclohexen-1-yl] butanoate

Systemtic Name: [5-(1-methylsulfanylcyclopropyl)-3-oxidanylidene-cyclohexen-1-yl] butanoate Openeye Name: [5-(1-methylsulfanylcyclopropyl)-3-oxo-cyclohexen-1-yl] butanoate CAS Name: butanoic acid [5-[1-(methylthio)cyclopropyl]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5-(1-methylsulfanylcyclopropyl)-3-oxocyclohexen-1-yl] butanoate Traditional Name: butyric acid [3-keto-5-[1-(methylthio)cyclopropyl]cyclohexen-1-yl] ester Formula: C14H20O3S MolecularWeight: 268.3718

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC(=O)CC(C1)C2(CC2)SC

Isomeric SMILES

CCCC(=O)OC1=CC(=O)CC(C1)C2(CC2)SC

InChI

InChI=1S/C14H20O3S/c1-3-4-13(16)17-12-8-10(7-11(15)9-12)14(18-2)5-6-14/h9-10H,3-8H2,1-2H3