ethyl 1-ethyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O3S/c1-3-25-18-10-7-15(20(27)28-4-2)11-17(18)24-21(25)29-13-19(26)23-12-14-5-8-16(22)9-6-14/h5-11H,3-4,12-13H2,1-2H3,(H,23,26)