3-methylbut-2-enyl 2-phenylsulfanylethanoate

Systemtic Name: 3-methylbut-2-enyl 2-phenylsulfanylethanoate Openeye Name: 3-methylbut-2-enyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid 3-methylbut-2-enyl ester IUPAC Name: 3-methylbut-2-enyl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid 3-methylbut-2-enyl ester Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC(=O)CSC1=CC=CC=C1)C

Isomeric SMILES

CC(=CCOC(=O)CSC1=CC=CC=C1)C

InChI

InChI=1S/C13H16O2S/c1-11(2)8-9-15-13(14)10-16-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3