ethyl 1-ethyl-2-[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC(=O)C3=CC=CN3C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC(=O)C3=CC=CN3C

InChI

InChI=1S/C20H22N4O4S/c1-4-24-15-9-8-13(19(27)28-5-2)11-14(15)21-20(24)29-12-17(25)22-18(26)16-7-6-10-23(16)3/h6-11H,4-5,12H2,1-3H3,(H,22,25,26)