ethyl 4-(1,3-benzodioxol-5-ylsulfanyl)-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylsulfanyl)-3-oxidanylidene-butanoate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylsulfanyl)-3-oxo-butanoate CAS Name: 4-(1,3-benzodioxol-5-ylthio)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylsulfanyl)-3-oxobutanoate Traditional Name: 4-(1,3-benzodioxol-5-ylthio)-3-keto-butyric acid ethyl ester Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H14O5S/c1-2-16-13(15)5-9(14)7-19-10-3-4-11-12(6-10)18-8-17-11/h3-4,6H,2,5,7-8H2,1H3