methyl (E)-4-(2-phenylsulfanylethanoyloxy)but-2-enoate

Systemtic Name: methyl (E)-4-(2-phenylsulfanylethanoyloxy)but-2-enoate Openeye Name: methyl (E)-4-(2-phenylsulfanylacetyl)oxybut-2-enoate CAS Name: (E)-4-[1-oxo-2-(phenylthio)ethoxy]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(2-phenylsulfanylacetyl)oxybut-2-enoate Traditional Name: (E)-4-[2-(phenylthio)acetyl]oxybut-2-enoic acid methyl ester Formula: C13H14O4S MolecularWeight: 266.31286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCOC(=O)CSC1=CC=CC=C1

Isomeric SMILES

COC(=O)/C=C/COC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C13H14O4S/c1-16-12(14)8-5-9-17-13(15)10-18-11-6-3-2-4-7-11/h2-8H,9-10H2,1H3/b8-5+