(3-phenylpropanoylamino) 2-(ethanoylsulfanylmethyl)benzoate

Systemtic Name: (3-phenylpropanoylamino) 2-(ethanoylsulfanylmethyl)benzoate Openeye Name: (3-phenylpropanoylamino) 2-(acetylsulfanylmethyl)benzoate CAS Name: 2-[(acetylthio)methyl]benzoic acid [(1-oxo-3-phenylpropyl)amino] ester IUPAC Name: (3-phenylpropanoylamino) 2-(acetylsulfanylmethyl)benzoate Traditional Name: 2-[(acetylthio)methyl]benzoic acid (hydrocinnamoylamino) ester Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CC=CC=C1C(=O)ONC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(=O)SCC1=CC=CC=C1C(=O)ONC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C19H19NO4S/c1-14(21)25-13-16-9-5-6-10-17(16)19(23)24-20-18(22)12-11-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,20,22)