ethyl 1-ethyl-2-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-(3-iodoanilino)-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-(3-iodoanilino)-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-(3-iodoanilino)-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-(3-iodoanilino)-2-keto-ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C20H20IN3O3S MolecularWeight: 509.36057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20IN3O3S/c1-3-24-17-9-8-13(19(26)27-4-2)10-16(17)23-20(24)28-12-18(25)22-15-7-5-6-14(21)11-15/h5-11H,3-4,12H2,1-2H3,(H,22,25)