S-[2-methanoyl-3-(2-methylphenyl)propyl] ethanethioate

Systemtic Name: S-[2-methanoyl-3-(2-methylphenyl)propyl] ethanethioate Openeye Name: S-[2-formyl-3-(o-tolyl)propyl] ethanethioate CAS Name: ethanethioic acid S-[2-formyl-3-(2-methylphenyl)propyl] ester IUPAC Name: S-[2-formyl-3-(2-methylphenyl)propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-formyl-3-(o-tolyl)propyl] ester Formula: C13H16O2S MolecularWeight: 236.32994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O2S/c1-10-5-3-4-6-13(10)7-12(8-14)9-16-11(2)15/h3-6,8,12H,7,9H2,1-2H3