dimethyl 5-[2-(3-phenylsulfanylpropanoyloxy)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(3-phenylsulfanylpropanoyloxy)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(3-phenylsulfanylpropanoyloxy)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-[1-oxo-3-(phenylthio)propoxy]ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(3-phenylsulfanylpropanoyloxy)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[3-(phenylthio)propanoyloxy]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H21NO7S MolecularWeight: 431.45894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO7S/c1-27-20(25)14-10-15(21(26)28-2)12-16(11-14)22-18(23)13-29-19(24)8-9-30-17-6-4-3-5-7-17/h3-7,10-12H,8-9,13H2,1-2H3,(H,22,23)