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

Systemtic Name: methyl (E)-2-ethanoyl-7-oxidanylidene-7-phenylsulfanyl-hept-5-enoate Openeye Name: methyl (E)-2-acetyl-7-oxo-7-phenylsulfanyl-hept-5-enoate CAS Name: (E)-2-acetyl-7-oxo-7-(phenylthio)-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-2-acetyl-7-oxo-7-phenylsulfanylhept-5-enoate Traditional Name: (E)-2-acetyl-7-keto-7-(phenylthio)hept-5-enoic acid methyl ester Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCC=CC(=O)SC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(=O)C(CC/C=C/C(=O)SC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C16H18O4S/c1-12(17)14(16(19)20-2)10-6-7-11-15(18)21-13-8-4-3-5-9-13/h3-5,7-9,11,14H,6,10H2,1-2H3/b11-7+