methyl (E)-7-oxidanylidene-2-(3-phenylpropanoyl)-7-phenylsulfanyl-hept-4-enoate

Systemtic Name: methyl (E)-7-oxidanylidene-2-(3-phenylpropanoyl)-7-phenylsulfanyl-hept-4-enoate Openeye Name: methyl (E)-7-oxo-2-(3-phenylpropanoyl)-7-phenylsulfanyl-hept-4-enoate CAS Name: (E)-7-oxo-2-(1-oxo-3-phenylpropyl)-7-(phenylthio)-4-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-oxo-2-(3-phenylpropanoyl)-7-phenylsulfanylhept-4-enoate Traditional Name: (E)-2-hydrocinnamoyl-7-keto-7-(phenylthio)hept-4-enoic acid methyl ester Formula: C23H24O4S MolecularWeight: 396.49926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C(C/C=C/CC(=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/h2-13,20H,14-17H2,1H3/b9-8+