dimethyl 2-[(E)-5-(furan-2-ylmethylsulfanyl)-5-oxidanylidene-pent-2-enyl]propanedioate

Systemtic Name: dimethyl 2-[(E)-5-(furan-2-ylmethylsulfanyl)-5-oxidanylidene-pent-2-enyl]propanedioate Openeye Name: dimethyl 2-[(E)-5-(2-furylmethylsulfanyl)-5-oxo-pent-2-enyl]propanedioate CAS Name: 2-[(E)-5-(2-furanylmethylthio)-5-oxopent-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-5-(furan-2-ylmethylsulfanyl)-5-oxopent-2-enyl]propanedioate Traditional Name: 2-[(E)-5-(2-furfurylthio)-5-keto-pent-2-enyl]malonic acid dimethyl ester Formula: C15H18O6S MolecularWeight: 326.36482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=CCC(=O)SCC1=CC=CO1)C(=O)OC

Isomeric SMILES

COC(=O)C(C/C=C/CC(=O)SCC1=CC=CO1)C(=O)OC

InChI

InChI=1S/C15H18O6S/c1-19-14(17)12(15(18)20-2)7-3-4-8-13(16)22-10-11-6-5-9-21-11/h3-6,9,12H,7-8,10H2,1-2H3/b4-3+