ethyl 2-[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[1-(4-acetamidoanilino)-1-oxopropan-2-yl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C23H26N4O4S/c1-5-27-20-12-7-16(22(30)31-6-2)13-19(20)26-23(27)32-14(3)21(29)25-18-10-8-17(9-11-18)24-15(4)28/h7-14H,5-6H2,1-4H3,(H,24,28)(H,25,29)