S-tert-butyl (3S)-3-(4-chlorophenyl)-5-oxidanylidene-hexanethioate

Systemtic Name: S-tert-butyl (3S)-3-(4-chlorophenyl)-5-oxidanylidene-hexanethioate Openeye Name: S-tert-butyl (3S)-3-(4-chlorophenyl)-5-oxo-hexanethioate CAS Name: (3S)-3-(4-chlorophenyl)-5-oxohexanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (3S)-3-(4-chlorophenyl)-5-oxohexanethioate Traditional Name: (3S)-3-(4-chlorophenyl)-5-keto-hexanethioic acid S-tert-butyl ester Formula: C16H21ClO2S MolecularWeight: 312.85474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C[C@@H](CC(=O)SC(C)(C)C)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C16H21ClO2S/c1-11(18)9-13(10-15(19)20-16(2,3)4)12-5-7-14(17)8-6-12/h5-8,13H,9-10H2,1-4H3/t13-/m0/s1