S-ethyl (E)-5-phenylpent-2-en-4-ynethioate

Systemtic Name: S-ethyl (E)-5-phenylpent-2-en-4-ynethioate Openeye Name: S-ethyl (E)-5-phenylpent-2-en-4-ynethioate CAS Name: (E)-5-phenylpent-2-en-4-ynethioic acid S-ethyl ester IUPAC Name: S-ethyl (E)-5-phenylpent-2-en-4-ynethioate Traditional Name: (E)-5-phenylpent-2-en-4-ynethioic acid S-ethyl ester Formula: C13H12OS MolecularWeight: 216.29878

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C=CC#CC1=CC=CC=C1

Isomeric SMILES

CCSC(=O)/C=C/C#CC1=CC=CC=C1

InChI

InChI=1S/C13H12OS/c1-2-15-13(14)11-7-6-10-12-8-4-3-5-9-12/h3-5,7-9,11H,2H2,1H3/b11-7+