methyl (Z)-3-phenylsulfanylhept-2-enoate

Systemtic Name: methyl (Z)-3-phenylsulfanylhept-2-enoate Openeye Name: methyl (Z)-3-phenylsulfanylhept-2-enoate CAS Name: (Z)-3-(phenylthio)-2-heptenoic acid methyl ester IUPAC Name: methyl (Z)-3-phenylsulfanylhept-2-enoate Traditional Name: (Z)-3-(phenylthio)hept-2-enoic acid methyl ester Formula: C14H18O2S MolecularWeight: 250.35652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CC(=O)OC)SC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C14H18O2S/c1-3-4-8-13(11-14(15)16-2)17-12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3/b13-11-