ethyl 1-ethyl-2-[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O4S/c1-4-24-17-8-6-13(20(26)28-5-2)10-16(17)23-21(24)29-12-18(25)15-11-14(22)7-9-19(15)27-3/h6-11H,4-5,12H2,1-3H3