propan-2-yl 4-[2-(3-phenylsulfanylpropanoyloxy)ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-(3-phenylsulfanylpropanoyloxy)ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-(3-phenylsulfanylpropanoyloxy)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[1-oxo-3-(phenylthio)propoxy]ethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(3-phenylsulfanylpropanoyloxy)acetyl]amino]benzoate Traditional Name: 4-[[2-[3-(phenylthio)propanoyloxy]acetyl]amino]benzoic acid isopropyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-15(2)27-21(25)16-8-10-17(11-9-16)22-19(23)14-26-20(24)12-13-28-18-6-4-3-5-7-18/h3-11,15H,12-14H2,1-2H3,(H,22,23)