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

Systemtic Name: ethyl 1-ethyl-2-[(2R)-1-oxidanylidene-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[(1R)-1-methyl-2-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[(2R)-1-oxo-1-[[(2R)-2-oxolanyl]methylamino]propan-2-yl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[(1R)-2-keto-1-methyl-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SC(C)C(=O)NCC3CCCO3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1S[C@H](C)C(=O)NC[C@H]3CCCO3

InChI

InChI=1S/C20H27N3O4S/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/h8-9,11,13,15H,4-7,10,12H2,1-3H3,(H,21,24)/t13-,15-/m1/s1