ethyl (E)-5-oxidanylidene-5-phenylsulfanyl-pent-2-enoate

Systemtic Name: ethyl (E)-5-oxidanylidene-5-phenylsulfanyl-pent-2-enoate Openeye Name: ethyl (E)-5-oxo-5-phenylsulfanyl-pent-2-enoate CAS Name: (E)-5-oxo-5-(phenylthio)-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E)-5-oxo-5-phenylsulfanylpent-2-enoate Traditional Name: (E)-5-keto-5-(phenylthio)pent-2-enoic acid ethyl ester Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCC(=O)SC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)/C=C/CC(=O)SC1=CC=CC=C1

InChI

InChI=1S/C13H14O3S/c1-2-16-12(14)9-6-10-13(15)17-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3/b9-6+