S-phenyl 2-chloranyl-3-methyl-butanethioate

Systemtic Name: S-phenyl 2-chloranyl-3-methyl-butanethioate Openeye Name: S-phenyl 2-chloro-3-methyl-butanethioate CAS Name: 2-chloro-3-methylbutanethioic acid S-phenyl ester IUPAC Name: S-phenyl 2-chloro-3-methylbutanethioate Traditional Name: 2-chloro-3-methyl-butanethioic acid S-phenyl ester Formula: C11H13ClOS MolecularWeight: 228.73832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)SC1=CC=CC=C1)Cl

Isomeric SMILES

CC(C)C(C(=O)SC1=CC=CC=C1)Cl

InChI

InChI=1S/C11H13ClOS/c1-8(2)10(12)11(13)14-9-6-4-3-5-7-9/h3-8,10H,1-2H3