ethyl 2-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O3S/c1-4-25-18-9-6-14(20(27)28-5-2)11-17(18)24-21(25)29-12-19(26)23-15-7-8-16(22)13(3)10-15/h6-11H,4-5,12H2,1-3H3,(H,23,26)