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

Systemtic Name: ethyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-butyl-2-oxidanylidene-oxolane-3-carboxylate Openeye Name: ethyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-butyl-2-oxo-tetrahydrofuran-3-carboxylate CAS Name: 5-[(1H-benzimidazol-2-ylthio)methyl]-3-butyl-2-oxo-3-oxolanecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-butyl-2-oxooxolane-3-carboxylate Traditional Name: 5-[(1H-benzimidazol-2-ylthio)methyl]-3-butyl-2-keto-tetrahydrofuran-3-carboxylic acid ethyl ester Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC(OC1=O)CSC2=NC3=CC=CC=C3N2)C(=O)OCC

Isomeric SMILES

CCCCC1(CC(OC1=O)CSC2=NC3=CC=CC=C3N2)C(=O)OCC

InChI

InChI=1S/C19H24N2O4S/c1-3-5-10-19(16(22)24-4-2)11-13(25-17(19)23)12-26-18-20-14-8-6-7-9-15(14)21-18/h6-9,13H,3-5,10-12H2,1-2H3,(H,20,21)