S-ethyl 2-(phenylmethyl)but-3-enethioate

Systemtic Name: S-ethyl 2-(phenylmethyl)but-3-enethioate Openeye Name: S-ethyl 2-benzylbut-3-enethioate CAS Name: 2-(phenylmethyl)-3-butenethioic acid S-ethyl ester IUPAC Name: S-ethyl 2-benzylbut-3-enethioate Traditional Name: 2-benzylbut-3-enethioic acid S-ethyl ester Formula: C13H16OS MolecularWeight: 220.33054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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