methyl (E)-5-cyano-6-ethanoylsulfanyl-7-phenyl-hept-4-enoate

Systemtic Name: methyl (E)-5-cyano-6-ethanoylsulfanyl-7-phenyl-hept-4-enoate Openeye Name: methyl (E)-6-acetylsulfanyl-5-cyano-7-phenyl-hept-4-enoate CAS Name: (E)-6-(acetylthio)-5-cyano-7-phenyl-4-heptenoic acid methyl ester IUPAC Name: methyl (E)-6-acetylsulfanyl-5-cyano-7-phenylhept-4-enoate Traditional Name: (E)-6-(acetylthio)-5-cyano-7-phenyl-hept-4-enoic acid methyl ester Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CC=CC=C1)C(=CCCC(=O)OC)C#N

Isomeric SMILES

CC(=O)SC(CC1=CC=CC=C1)/C(=C/CCC(=O)OC)/C#N

InChI

InChI=1S/C17H19NO3S/c1-13(19)22-16(11-14-7-4-3-5-8-14)15(12-18)9-6-10-17(20)21-2/h3-5,7-9,16H,6,10-11H2,1-2H3/b15-9+