[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino] benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NOC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NOC(=O)C2=CC=CC=C2

InChI

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