dimethyl 5-[2-[3-(4-methylphenyl)sulfanylpropanoyloxy]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[3-(4-methylphenyl)sulfanylpropanoyloxy]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[3-(p-tolylsulfanyl)propanoyloxy]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[3-[(4-methylphenyl)thio]-1-oxopropoxy]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[3-(4-methylphenyl)sulfanylpropanoyloxy]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[3-(p-tolylthio)propanoyloxy]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H23NO7S MolecularWeight: 445.48552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H23NO7S/c1-14-4-6-18(7-5-14)31-9-8-20(25)30-13-19(24)23-17-11-15(21(26)28-2)10-16(12-17)22(27)29-3/h4-7,10-12H,8-9,13H2,1-3H3,(H,23,24)