S-pent-4-ynyl (E)-3-phenylprop-2-enethioate

Systemtic Name: S-pent-4-ynyl (E)-3-phenylprop-2-enethioate Openeye Name: S-pent-4-ynyl (E)-3-phenylprop-2-enethioate CAS Name: (E)-3-phenyl-2-propenethioic acid S-pent-4-ynyl ester IUPAC Name: S-pent-4-ynyl (E)-3-phenylprop-2-enethioate Traditional Name: (E)-3-phenylprop-2-enethioic acid S-pent-4-ynyl ester Formula: C14H14OS MolecularWeight: 230.32536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C#CCCCSC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C14H14OS/c1-2-3-7-12-16-14(15)11-10-13-8-5-4-6-9-13/h1,4-6,8-11H,3,7,12H2/b11-10+