S-tert-butyl 3-oxidanylidene-5-phenyl-pentanethioate

Systemtic Name: S-tert-butyl 3-oxidanylidene-5-phenyl-pentanethioate Openeye Name: S-tert-butyl 3-oxo-5-phenyl-pentanethioate CAS Name: 3-oxo-5-phenylpentanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 3-oxo-5-phenylpentanethioate Traditional Name: 3-keto-5-phenyl-pentanethioic acid S-tert-butyl ester Formula: C15H20O2S MolecularWeight: 264.3831

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)CC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)SC(=O)CC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C15H20O2S/c1-15(2,3)18-14(17)11-13(16)10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3