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

Systemtic Name: dimethyl 2-[(E)-5-oxidanylidene-5-phenylsulfanyl-pent-2-enyl]propanedioate Openeye Name: dimethyl 2-[(E)-5-oxo-5-phenylsulfanyl-pent-2-enyl]propanedioate CAS Name: 2-[(E)-5-oxo-5-(phenylthio)pent-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-5-oxo-5-phenylsulfanylpent-2-enyl]propanedioate Traditional Name: 2-[(E)-5-keto-5-(phenylthio)pent-2-enyl]malonic acid dimethyl ester Formula: C16H18O5S MolecularWeight: 322.37612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=CCC(=O)SC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

COC(=O)C(C/C=C/CC(=O)SC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C16H18O5S/c1-20-15(18)13(16(19)21-2)10-6-7-11-14(17)22-12-8-4-3-5-9-12/h3-9,13H,10-11H2,1-2H3/b7-6+