S-(phenylmethyl) 3-methylbut-2-enethioate

Systemtic Name: S-(phenylmethyl) 3-methylbut-2-enethioate Openeye Name: S-benzyl 3-methylbut-2-enethioate CAS Name: 3-methyl-2-butenethioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 3-methylbut-2-enethioate Traditional Name: 3-methylbut-2-enethioic acid S-benzyl ester Formula: C12H14OS MolecularWeight: 206.30396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14OS/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3