S-[4-oxidanylidene-4-(phenylmethoxyamino)butyl] ethanethioate

Systemtic Name: S-[4-oxidanylidene-4-(phenylmethoxyamino)butyl] ethanethioate Openeye Name: S-[4-(benzyloxyamino)-4-oxo-butyl] ethanethioate CAS Name: ethanethioic acid S-[4-oxo-4-(phenylmethoxyamino)butyl] ester IUPAC Name: S-[4-oxo-4-(phenylmethoxyamino)butyl] ethanethioate Traditional Name: ethanethioic acid S-[4-(benzoxyamino)-4-keto-butyl] ester Formula: C13H17NO3S MolecularWeight: 267.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCC(=O)NOCC1=CC=CC=C1

Isomeric SMILES

CC(=O)SCCCC(=O)NOCC1=CC=CC=C1

InChI

InChI=1S/C13H17NO3S/c1-11(15)18-9-5-8-13(16)14-17-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3,(H,14,16)