ethyl (E)-4-phenacylsulfanylbut-2-enoate

Systemtic Name: ethyl (E)-4-phenacylsulfanylbut-2-enoate Openeye Name: ethyl (E)-4-phenacylsulfanylbut-2-enoate CAS Name: (E)-4-(phenacylthio)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-phenacylsulfanylbut-2-enoate Traditional Name: (E)-4-(phenacylthio)but-2-enoic acid ethyl ester Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCSCC(=O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C14H16O3S/c1-2-17-14(16)9-6-10-18-11-13(15)12-7-4-3-5-8-12/h3-9H,2,10-11H2,1H3/b9-6+