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

Systemtic Name: ethyl 1-ethyl-2-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C24H29N3O3S MolecularWeight: 439.57036

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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=C3C(C)C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3=C(C=CC=C3C(C)C)C

InChI

InChI=1S/C24H29N3O3S/c1-6-27-20-12-11-17(23(29)30-7-2)13-19(20)25-24(27)31-14-21(28)26-22-16(5)9-8-10-18(22)15(3)4/h8-13,15H,6-7,14H2,1-5H3,(H,26,28)