butyl 4-[2-(3-phenylsulfanylpropanoyloxy)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(3-phenylsulfanylpropanoyloxy)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(3-phenylsulfanylpropanoyloxy)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[1-oxo-3-(phenylthio)propoxy]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(3-phenylsulfanylpropanoyloxy)acetyl]amino]benzoate Traditional Name: 4-[[2-[3-(phenylthio)propanoyloxy]acetyl]amino]benzoic acid butyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C22H25NO5S/c1-2-3-14-27-22(26)17-9-11-18(12-10-17)23-20(24)16-28-21(25)13-15-29-19-7-5-4-6-8-19/h4-12H,2-3,13-16H2,1H3,(H,23,24)