S-(1-chloranyl-2-methyl-1-oxidanylidene-propan-2-yl) 2-phenylethanethioate

Systemtic Name: S-(1-chloranyl-2-methyl-1-oxidanylidene-propan-2-yl) 2-phenylethanethioate Openeye Name: S-(2-chloro-1,1-dimethyl-2-oxo-ethyl) 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-(1-chloro-2-methyl-1-oxopropan-2-yl) ester IUPAC Name: S-(1-chloro-2-methyl-1-oxopropan-2-yl) 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-(2-chloro-2-keto-1,1-dimethyl-ethyl) ester Formula: C12H13ClO2S MolecularWeight: 256.74842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)Cl)SC(=O)CC1=CC=CC=C1

Isomeric SMILES

CC(C)(C(=O)Cl)SC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C12H13ClO2S/c1-12(2,11(13)15)16-10(14)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3