ethyl 1-ethyl-2-[(2R)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[(2R)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[(1R)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[(2R)-1-(2-furanylmethylamino)-1-oxopropan-2-yl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[(1R)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SC(C)C(=O)NCC3=CC=CO3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1S[C@H](C)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H23N3O4S/c1-4-23-17-9-8-14(19(25)26-5-2)11-16(17)22-20(23)28-13(3)18(24)21-12-15-7-6-10-27-15/h6-11,13H,4-5,12H2,1-3H3,(H,21,24)/t13-/m1/s1