ethyl 1-ethyl-2-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-(1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-(1H-indol-3-yl)-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-(1H-indol-3-yl)-2-keto-ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O3S/c1-3-25-19-10-9-14(21(27)28-4-2)11-18(19)24-22(25)29-13-20(26)16-12-23-17-8-6-5-7-15(16)17/h5-12,23H,3-4,13H2,1-2H3