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

Systemtic Name: [5-(1-methylsulfanylcyclopropyl)-3-oxidanylidene-cyclohexen-1-yl] propanoate Openeye Name: [5-(1-methylsulfanylcyclopropyl)-3-oxo-cyclohexen-1-yl] propanoate CAS Name: propanoic acid [5-[1-(methylthio)cyclopropyl]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5-(1-methylsulfanylcyclopropyl)-3-oxocyclohexen-1-yl] propanoate Traditional Name: propionic acid [3-keto-5-[1-(methylthio)cyclopropyl]cyclohexen-1-yl] ester Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3S/c1-3-12(15)16-11-7-9(6-10(14)8-11)13(17-2)4-5-13/h8-9H,3-7H2,1-2H3