S-(2-oxidanylidene-4-phenyl-butyl) ethanethioate

Systemtic Name: S-(2-oxidanylidene-4-phenyl-butyl) ethanethioate Openeye Name: S-(2-oxo-4-phenyl-butyl) ethanethioate CAS Name: ethanethioic acid S-(2-oxo-4-phenylbutyl) ester IUPAC Name: S-(2-oxo-4-phenylbutyl) ethanethioate Traditional Name: ethanethioic acid S-(2-keto-4-phenyl-butyl) ester Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CC(=O)SCC(=O)CCC1=CC=CC=C1

InChI

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