ethyl 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30N2O3S/c1-3-26-20-6-5-18(22(28)29-4-2)10-19(20)25-23(26)30-14-21(27)24-11-15-7-16(12-24)9-17(8-15)13-24/h5-6,10,15-17H,3-4,7-9,11-14H2,1-2H3