S-phenyl (E)-5-phenylmethoxypent-3-enethioate

Systemtic Name: S-phenyl (E)-5-phenylmethoxypent-3-enethioate Openeye Name: S-phenyl (E)-5-benzyloxypent-3-enethioate CAS Name: (E)-5-phenylmethoxy-3-pentenethioic acid S-phenyl ester IUPAC Name: S-phenyl (E)-5-phenylmethoxypent-3-enethioate Traditional Name: (E)-5-benzoxypent-3-enethioic acid S-phenyl ester Formula: C18H18O2S MolecularWeight: 298.39932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC=CCC(=O)SC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC/C=C/CC(=O)SC2=CC=CC=C2

InChI

InChI=1S/C18H18O2S/c19-18(21-17-11-5-2-6-12-17)13-7-8-14-20-15-16-9-3-1-4-10-16/h1-12H,13-15H2/b8-7+