dimethyl 2-[2-(2-methylsulfanylbenzimidazol-1-yl)ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(2-methylsulfanylbenzimidazol-1-yl)ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(2-methylsulfanylbenzimidazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[2-(methylthio)-1-benzimidazolyl]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(2-methylsulfanylbenzimidazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[2-(methylthio)benzimidazol-1-yl]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2C3=CC=CC=C3N=C2SC

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2C3=CC=CC=C3N=C2SC

InChI

InChI=1S/C20H19N3O5S/c1-27-18(25)12-8-9-13(19(26)28-2)15(10-12)21-17(24)11-23-16-7-5-4-6-14(16)22-20(23)29-3/h4-10H,11H2,1-3H3,(H,21,24)