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

Systemtic Name: ethyl 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate Openeye Name: ethyl 3-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate CAS Name: 3-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]benzoate Traditional Name: 3-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]benzoic acid ethyl ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(CC2=CC=CC=C2)CSC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(CC2=CC=CC=C2)CSC(=O)C

InChI

InChI=1S/C21H23NO4S/c1-3-26-21(25)17-10-7-11-19(13-17)22-20(24)18(14-27-15(2)23)12-16-8-5-4-6-9-16/h4-11,13,18H,3,12,14H2,1-2H3,(H,22,24)