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

Systemtic Name: methyl (E)-7-oxidanylidene-2-(phenylcarbonyl)-7-phenylsulfanyl-hept-5-enoate Openeye Name: methyl (E)-2-benzoyl-7-oxo-7-phenylsulfanyl-hept-5-enoate CAS Name: (E)-2-benzoyl-7-oxo-7-(phenylthio)-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-2-benzoyl-7-oxo-7-phenylsulfanylhept-5-enoate Traditional Name: (E)-2-benzoyl-7-keto-7-(phenylthio)hept-5-enoic acid methyl ester Formula: C21H20O4S MolecularWeight: 368.4461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20O4S/c1-25-21(24)18(20(23)16-10-4-2-5-11-16)14-8-9-15-19(22)26-17-12-6-3-7-13-17/h2-7,9-13,15,18H,8,14H2,1H3/b15-9+