dimethyl (E)-2-(phenylmethylsulfanyl)but-2-enedioate

Systemtic Name: dimethyl (E)-2-(phenylmethylsulfanyl)but-2-enedioate Openeye Name: dimethyl (E)-2-benzylsulfanylbut-2-enedioate CAS Name: (E)-2-(phenylmethylthio)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-benzylsulfanylbut-2-enedioate Traditional Name: (E)-2-(benzylthio)but-2-enedioic acid dimethyl ester Formula: C13H14O4S MolecularWeight: 266.31286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)SCC1=CC=CC=C1

Isomeric SMILES

COC(=O)/C=C(\C(=O)OC)/SCC1=CC=CC=C1

InChI

InChI=1S/C13H14O4S/c1-16-12(14)8-11(13(15)17-2)18-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3/b11-8+