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

Systemtic Name: dimethyl 5-[2-[3-(2-chlorophenyl)sulfanylpropanoyloxy]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[3-(2-chlorophenyl)sulfanylpropanoyloxy]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[3-[(2-chlorophenyl)thio]-1-oxopropoxy]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[3-(2-chlorophenyl)sulfanylpropanoyloxy]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[3-[(2-chlorophenyl)thio]propanoyloxy]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H20ClNO7S MolecularWeight: 465.904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)COC(=O)CCSC2=CC=CC=C2Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)COC(=O)CCSC2=CC=CC=C2Cl)C(=O)OC

InChI

InChI=1S/C21H20ClNO7S/c1-28-20(26)13-9-14(21(27)29-2)11-15(10-13)23-18(24)12-30-19(25)7-8-31-17-6-4-3-5-16(17)22/h3-6,9-11H,7-8,12H2,1-2H3,(H,23,24)