ethyl 1-ethyl-2-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NC3=C(N2CC)C=CC(=C3)C(=O)OCC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NC3=C(N2CC)C=CC(=C3)C(=O)OCC)C

InChI

InChI=1S/C23H27N3O3S/c1-5-16-10-8-9-15(4)21(16)25-20(27)14-30-23-24-18-13-17(22(28)29-7-3)11-12-19(18)26(23)6-2/h8-13H,5-7,14H2,1-4H3,(H,25,27)