ethyl 1-ethyl-2-[2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C=C3C(C4=CC=CC=C4N3C)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C=C3C(C4=CC=CC=C4N3C)(C)C

InChI

InChI=1S/C26H29N3O3S/c1-6-29-22-13-12-17(24(31)32-7-2)14-20(22)27-25(29)33-16-18(30)15-23-26(3,4)19-10-8-9-11-21(19)28(23)5/h8-15H,6-7,16H2,1-5H3