methyl (E)-4-(phenylmethylsulfanyl)but-2-enoate

Systemtic Name: methyl (E)-4-(phenylmethylsulfanyl)but-2-enoate Openeye Name: methyl (E)-4-benzylsulfanylbut-2-enoate CAS Name: (E)-4-(phenylmethylthio)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-benzylsulfanylbut-2-enoate Traditional Name: (E)-4-(benzylthio)but-2-enoic acid methyl ester Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCSCC1=CC=CC=C1

Isomeric SMILES

COC(=O)/C=C/CSCC1=CC=CC=C1

InChI

InChI=1S/C12H14O2S/c1-14-12(13)8-5-9-15-10-11-6-3-2-4-7-11/h2-8H,9-10H2,1H3/b8-5+