S-[3-oxidanylidene-3-(phenethylamino)propyl] ethanethioate

Systemtic Name: S-[3-oxidanylidene-3-(phenethylamino)propyl] ethanethioate Openeye Name: S-[3-oxo-3-(phenethylamino)propyl] ethanethioate CAS Name: ethanethioic acid S-[3-oxo-3-(phenethylamino)propyl] ester IUPAC Name: S-[3-oxo-3-(phenethylamino)propyl] ethanethioate Traditional Name: ethanethioic acid S-[3-keto-3-(phenethylamino)propyl] ester Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)NCCC1=CC=CC=C1

Isomeric SMILES

CC(=O)SCCC(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C13H17NO2S/c1-11(15)17-10-8-13(16)14-9-7-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,14,16)