S-(1-chloranyl-2-methyl-1-oxidanylidene-propan-2-yl) 3-phenylpropanethioate

Systemtic Name: S-(1-chloranyl-2-methyl-1-oxidanylidene-propan-2-yl) 3-phenylpropanethioate Openeye Name: S-(2-chloro-1,1-dimethyl-2-oxo-ethyl) 3-phenylpropanethioate CAS Name: 3-phenylpropanethioic acid S-(1-chloro-2-methyl-1-oxopropan-2-yl) ester IUPAC Name: S-(1-chloro-2-methyl-1-oxopropan-2-yl) 3-phenylpropanethioate Traditional Name: 3-phenylpropanethioic acid S-(2-chloro-2-keto-1,1-dimethyl-ethyl) ester Formula: C13H15ClO2S MolecularWeight: 270.775

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClO2S/c1-13(2,12(14)16)17-11(15)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3