dimethyl 2-[2-(5-ethoxycarbonyl-1-ethyl-benzimidazol-2-yl)sulfanylethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(5-ethoxycarbonyl-1-ethyl-benzimidazol-2-yl)sulfanylethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(5-ethoxycarbonyl-1-ethyl-benzimidazol-2-yl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[(5-ethoxycarbonyl-1-ethyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(5-ethoxycarbonyl-1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(5-carbethoxy-1-ethyl-benzimidazol-2-yl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C24H25N3O7S MolecularWeight: 499.5362

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C24H25N3O7S/c1-5-27-19-10-8-15(22(30)34-6-2)12-18(19)26-24(27)35-13-20(28)25-17-11-14(21(29)32-3)7-9-16(17)23(31)33-4/h7-12H,5-6,13H2,1-4H3,(H,25,28)