dimethyl 2-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[methyl-[4-(methylthio)benzyl]amino]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H24N2O5S/c1-23(12-14-5-8-16(29-4)9-6-14)13-19(24)22-18-11-15(20(25)27-2)7-10-17(18)21(26)28-3/h5-11H,12-13H2,1-4H3,(H,22,24)