ethyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(2-methylbutan-2-yl)-2-oxidanylidene-oxolane-3-carboxylate

Systemtic Name: ethyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(2-methylbutan-2-yl)-2-oxidanylidene-oxolane-3-carboxylate Openeye Name: ethyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(1,1-dimethylpropyl)-2-oxo-tetrahydrofuran-3-carboxylate CAS Name: 5-[(1H-benzimidazol-2-ylthio)methyl]-3-(2-methylbutan-2-yl)-2-oxo-3-oxolanecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(2-methylbutan-2-yl)-2-oxooxolane-3-carboxylate Traditional Name: 3-tert-amyl-5-[(1H-benzimidazol-2-ylthio)methyl]-2-keto-tetrahydrofuran-3-carboxylic acid ethyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1(CC(OC1=O)CSC2=NC3=CC=CC=C3N2)C(=O)OCC

Isomeric SMILES

CCC(C)(C)C1(CC(OC1=O)CSC2=NC3=CC=CC=C3N2)C(=O)OCC

InChI

InChI=1S/C20H26N2O4S/c1-5-19(3,4)20(16(23)25-6-2)11-13(26-17(20)24)12-27-18-21-14-9-7-8-10-15(14)22-18/h7-10,13H,5-6,11-12H2,1-4H3,(H,21,22)