S-[3-oxidanylidene-3-(1-phenylethylamino)propyl] ethanethioate

Systemtic Name: S-[3-oxidanylidene-3-(1-phenylethylamino)propyl] ethanethioate Openeye Name: S-[3-oxo-3-(1-phenylethylamino)propyl] ethanethioate CAS Name: ethanethioic acid S-[3-oxo-3-(1-phenylethylamino)propyl] ester IUPAC Name: S-[3-oxo-3-(1-phenylethylamino)propyl] ethanethioate Traditional Name: ethanethioic acid S-[3-keto-3-(1-phenylethylamino)propyl] ester Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CCSC(=O)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CCSC(=O)C

InChI

InChI=1S/C13H17NO2S/c1-10(12-6-4-3-5-7-12)14-13(16)8-9-17-11(2)15/h3-7,10H,8-9H2,1-2H3,(H,14,16)