S-(phenylmethyl) (E)-4-methylpent-2-enethioate

Systemtic Name: S-(phenylmethyl) (E)-4-methylpent-2-enethioate Openeye Name: S-benzyl (E)-4-methylpent-2-enethioate CAS Name: (E)-4-methyl-2-pentenethioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl (E)-4-methylpent-2-enethioate Traditional Name: (E)-4-methylpent-2-enethioic acid S-benzyl ester Formula: C13H16OS MolecularWeight: 220.33054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CC(=O)SCC1=CC=CC=C1

Isomeric SMILES

CC(C)/C=C/C(=O)SCC1=CC=CC=C1

InChI

InChI=1S/C13H16OS/c1-11(2)8-9-13(14)15-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+