ethyl (3S,5S)-5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-oxidanylidene-3-pentyl-oxolane-3-carboxylate

Systemtic Name: ethyl (3S,5S)-5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-oxidanylidene-3-pentyl-oxolane-3-carboxylate Openeye Name: ethyl (3S,5S)-5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-oxo-3-pentyl-tetrahydrofuran-3-carboxylate CAS Name: (3S,5S)-5-[(1H-benzimidazol-2-ylthio)methyl]-2-oxo-3-pentyl-3-oxolanecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,5S)-5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-oxo-3-pentyloxolane-3-carboxylate Traditional Name: (3S,5S)-3-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:

CCCCCC1(CC(OC1=O)CSC2=NC3=CC=CC=C3N2)C(=O)OCC

Isomeric SMILES

CCCCC[C@]1(C[C@H](OC1=O)CSC2=NC3=CC=CC=C3N2)C(=O)OCC

InChI

InChI=1S/C20H26N2O4S/c1-3-5-8-11-20(17(23)25-4-2)12-14(26-18(20)24)13-27-19-21-15-9-6-7-10-16(15)22-19/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3,(H,21,22)/t14-,20-/m0/s1