S-phenyl (E)-hept-2-enethioate

Systemtic Name: S-phenyl (E)-hept-2-enethioate Openeye Name: S-phenyl (E)-hept-2-enethioate CAS Name: (E)-2-heptenethioic acid S-phenyl ester IUPAC Name: S-phenyl (E)-hept-2-enethioate Traditional Name: (E)-hept-2-enethioic acid S-phenyl ester Formula: C13H16OS MolecularWeight: 220.33054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16OS/c1-2-3-4-8-11-13(14)15-12-9-6-5-7-10-12/h5-11H,2-4H2,1H3/b11-8+