O-methyl 2-(3-phenylpropanoylamino)ethanethioate

Systemtic Name: O-methyl 2-(3-phenylpropanoylamino)ethanethioate Openeye Name: O-methyl 2-(3-phenylpropanoylamino)ethanethioate CAS Name: 2-[(1-oxo-3-phenylpropyl)amino]ethanethioic acid O-methyl ester IUPAC Name: O-methyl 2-(3-phenylpropanoylamino)ethanethioate Traditional Name: 2-(hydrocinnamoylamino)ethanethioic acid O-methyl ester Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=S)CNC(=O)CCC1=CC=CC=C1

Isomeric SMILES

COC(=S)CNC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C12H15NO2S/c1-15-12(16)9-13-11(14)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14)