methyl (E)-7-oxidanylidene-2-(3-phenylpropanoyl)-7-phenylsulfanyl-hept-5-enoate

Systemtic Name: methyl (E)-7-oxidanylidene-2-(3-phenylpropanoyl)-7-phenylsulfanyl-hept-5-enoate Openeye Name: methyl (E)-7-oxo-2-(3-phenylpropanoyl)-7-phenylsulfanyl-hept-5-enoate CAS Name: (E)-7-oxo-2-(1-oxo-3-phenylpropyl)-7-(phenylthio)-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-oxo-2-(3-phenylpropanoyl)-7-phenylsulfanylhept-5-enoate Traditional Name: (E)-2-hydrocinnamoyl-7-keto-7-(phenylthio)hept-5-enoic acid methyl ester Formula: C23H24O4S MolecularWeight: 396.49926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC=CC(=O)SC1=CC=CC=C1)C(=O)CCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CC/C=C/C(=O)SC1=CC=CC=C1)C(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C23H24O4S/c1-27-23(26)20(21(24)17-16-18-10-4-2-5-11-18)14-8-9-15-22(25)28-19-12-6-3-7-13-19/h2-7,9-13,15,20H,8,14,16-17H2,1H3/b15-9+