S-(2-ethanoylsulfanylethyl) 2-oxidanylidene-2-phenylazanyl-ethanethioate

Systemtic Name: S-(2-ethanoylsulfanylethyl) 2-oxidanylidene-2-phenylazanyl-ethanethioate Openeye Name: S-(2-acetylsulfanylethyl) 2-anilino-2-oxo-ethanethioate CAS Name: 2-anilino-2-oxoethanethioic acid S-[2-(acetylthio)ethyl] ester IUPAC Name: S-(2-acetylsulfanylethyl) 2-anilino-2-oxoethanethioate Traditional Name: 2-anilino-2-keto-ethanethioic acid S-[2-(acetylthio)ethyl] ester Formula: C12H13NO3S2 MolecularWeight: 283.36652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCSC(=O)C(=O)NC1=CC=CC=C1

Isomeric SMILES

CC(=O)SCCSC(=O)C(=O)NC1=CC=CC=C1

InChI

InChI=1S/C12H13NO3S2/c1-9(14)17-7-8-18-12(16)11(15)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,15)