ethyl 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H19N3O2S2/c1-3-23-16-10-9-13(19(24)25-4-2)11-15(16)22-20(23)26-12-18-21-14-7-5-6-8-17(14)27-18/h5-11H,3-4,12H2,1-2H3