S-(3-oxidanylidene-3-phenylazanyl-propyl) ethanethioate

Systemtic Name: S-(3-oxidanylidene-3-phenylazanyl-propyl) ethanethioate Openeye Name: S-(3-anilino-3-oxo-propyl) ethanethioate CAS Name: ethanethioic acid S-(3-anilino-3-oxopropyl) ester IUPAC Name: S-(3-anilino-3-oxopropyl) ethanethioate Traditional Name: ethanethioic acid S-(3-anilino-3-keto-propyl) ester Formula: C11H13NO2S MolecularWeight: 223.29142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)NC1=CC=CC=C1

Isomeric SMILES

CC(=O)SCCC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C11H13NO2S/c1-9(13)15-8-7-11(14)12-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14)