ethyl 1-ethyl-2-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-2-(2-methoxy-5-methyl-anilino)ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-5-25-18-9-8-15(21(27)29-6-2)12-16(18)24-22(25)30-13-20(26)23-17-11-14(3)7-10-19(17)28-4/h7-12H,5-6,13H2,1-4H3,(H,23,26)