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

Systemtic Name: ethyl 4-[2-(3-phenylsulfanylpropanoyloxy)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(3-phenylsulfanylpropanoyloxy)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[1-oxo-3-(phenylthio)propoxy]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-phenylsulfanylpropanoyloxy)acetyl]amino]benzoate Traditional Name: 4-[[2-[3-(phenylthio)propanoyloxy]acetyl]amino]benzoic acid ethyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-2-25-20(24)15-8-10-16(11-9-15)21-18(22)14-26-19(23)12-13-27-17-6-4-3-5-7-17/h3-11H,2,12-14H2,1H3,(H,21,22)