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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S/c1-4-25-17(23)20(10-9-13(2)3)11-14(26-18(20)24)12-27-19-21-15-7-5-6-8-16(15)22-19/h5-8,13-14H,4,9-12H2,1-3H3,(H,21,22)