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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C20H21NO5S/c1-25-20(24)16-9-7-15(8-10-16)13-21-18(22)14-26-19(23)11-12-27-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,21,22)