methyl 3-[(E)-3-oxidanylidenebut-1-enyl]sulfanylpropanoate

Systemtic Name: methyl 3-[(E)-3-oxidanylidenebut-1-enyl]sulfanylpropanoate Openeye Name: methyl 3-[(E)-3-oxobut-1-enyl]sulfanylpropanoate CAS Name: 3-[[(E)-3-oxobut-1-enyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(E)-3-oxobut-1-enyl]sulfanylpropanoate Traditional Name: 3-[[(E)-3-ketobut-1-enyl]thio]propionic acid methyl ester Formula: C8H12O3S MolecularWeight: 188.24408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CSCCC(=O)OC

Isomeric SMILES

CC(=O)/C=C/SCCC(=O)OC

InChI

InChI=1S/C8H12O3S/c1-7(9)3-5-12-6-4-8(10)11-2/h3,5H,4,6H2,1-2H3/b5-3+