ethyl 1-ethyl-2-[(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[(1R)-2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[(1R)-2-(4-fluoroanilino)-2-keto-1-methyl-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=C1SC(C)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1S[C@H](C)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O3S/c1-4-25-18-11-6-14(20(27)28-5-2)12-17(18)24-21(25)29-13(3)19(26)23-16-9-7-15(22)8-10-16/h6-13H,4-5H2,1-3H3,(H,23,26)/t13-/m1/s1