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

Systemtic Name: ethyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-oxidanylidene-3-propyl-oxolane-3-carboxylate Openeye Name: ethyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-oxo-3-propyl-tetrahydrofuran-3-carboxylate CAS Name: 5-[(1H-benzimidazol-2-ylthio)methyl]-2-oxo-3-propyl-3-oxolanecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-oxo-3-propyloxolane-3-carboxylate Traditional Name: 5-[(1H-benzimidazol-2-ylthio)methyl]-2-keto-3-propyl-tetrahydrofuran-3-carboxylic acid ethyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(OC1=O)CSC2=NC3=CC=CC=C3N2)C(=O)OCC

Isomeric SMILES

CCCC1(CC(OC1=O)CSC2=NC3=CC=CC=C3N2)C(=O)OCC

InChI

InChI=1S/C18H22N2O4S/c1-3-9-18(15(21)23-4-2)10-12(24-16(18)22)11-25-17-19-13-7-5-6-8-14(13)20-17/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,20)