S-(2-methanoyl-3-phenyl-propyl) ethanethioate

Systemtic Name: S-(2-methanoyl-3-phenyl-propyl) ethanethioate Openeye Name: S-(2-benzyl-3-oxo-propyl) ethanethioate CAS Name: ethanethioic acid S-(2-formyl-3-phenylpropyl) ester IUPAC Name: S-(2-benzyl-3-oxopropyl) ethanethioate Traditional Name: ethanethioic acid S-(2-benzyl-3-keto-propyl) ester Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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