S-(3-chloranyl-2-methyl-3-oxidanylidene-propyl) 2-phenylethanethioate

Systemtic Name: S-(3-chloranyl-2-methyl-3-oxidanylidene-propyl) 2-phenylethanethioate Openeye Name: S-(3-chloro-2-methyl-3-oxo-propyl) 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-(3-chloro-2-methyl-3-oxopropyl) ester IUPAC Name: S-(3-chloro-2-methyl-3-oxopropyl) 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-(3-chloro-3-keto-2-methyl-propyl) ester Formula: C12H13ClO2S MolecularWeight: 256.74842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClO2S/c1-9(12(13)15)8-16-11(14)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3