ethyl 1-ethyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[(2-phenylthiazol-4-yl)methylsulfanyl]benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[(2-phenyl-4-thiazolyl)methylthio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]benzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[(2-phenylthiazol-4-yl)methylthio]benzimidazole-5-carboxylic acid ethyl ester Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S2/c1-3-25-19-11-10-16(21(26)27-4-2)12-18(19)24-22(25)29-14-17-13-28-20(23-17)15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3