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

Systemtic Name: methyl (E)-2-butanoyl-7-oxidanylidene-7-phenylsulfanyl-hept-5-enoate Openeye Name: methyl (E)-2-butanoyl-7-oxo-7-phenylsulfanyl-hept-5-enoate CAS Name: (E)-7-oxo-2-(1-oxobutyl)-7-(phenylthio)-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-2-butanoyl-7-oxo-7-phenylsulfanylhept-5-enoate Traditional Name: (E)-2-butyryl-7-keto-7-(phenylthio)hept-5-enoic acid methyl ester Formula: C18H22O4S MolecularWeight: 334.42988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O4S/c1-3-9-16(19)15(18(21)22-2)12-7-8-13-17(20)23-14-10-5-4-6-11-14/h4-6,8,10-11,13,15H,3,7,9,12H2,1-2H3/b13-8+