S-[3-chloranyl-2-[(2-methylphenyl)methyl]-3-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[3-chloranyl-2-[(2-methylphenyl)methyl]-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[3-chloro-2-(o-tolylmethyl)-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-chloro-2-[(2-methylphenyl)methyl]-3-oxopropyl] ester IUPAC Name: S-[3-chloro-2-[(2-methylphenyl)methyl]-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-chloro-3-keto-2-(2-methylbenzyl)propyl] ester Formula: C13H15ClO2S MolecularWeight: 270.775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(CSC(=O)C)C(=O)Cl

Isomeric SMILES

CC1=CC=CC=C1CC(CSC(=O)C)C(=O)Cl

InChI

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