dimethyl 5-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3N2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3N2)C(=O)OC

InChI

InChI=1S/C19H17N3O5S/c1-26-17(24)11-7-12(18(25)27-2)9-13(8-11)20-16(23)10-28-19-21-14-5-3-4-6-15(14)22-19/h3-9H,10H2,1-2H3,(H,20,23)(H,21,22)