S-(1H-benzimidazol-2-ylmethyl) 2-methyl-4-(2-methylpropyl)-5-oxidanylidene-oxolane-2-carbothioate

Systemtic Name: S-(1H-benzimidazol-2-ylmethyl) 2-methyl-4-(2-methylpropyl)-5-oxidanylidene-oxolane-2-carbothioate Openeye Name: S-(1H-benzimidazol-2-ylmethyl) 4-isobutyl-2-methyl-5-oxo-tetrahydrofuran-2-carbothioate CAS Name: 2-methyl-4-(2-methylpropyl)-5-oxo-2-oxolanecarbothioic acid S-(1H-benzimidazol-2-ylmethyl) ester IUPAC Name: S-(1H-benzimidazol-2-ylmethyl) 2-methyl-4-(2-methylpropyl)-5-oxooxolane-2-carbothioate Traditional Name: 4-isobutyl-5-keto-2-methyl-tetrahydrofuran-2-carbothioic acid S-(1H-benzimidazol-2-ylmethyl) ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CC(OC1=O)(C)C(=O)SCC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(C)CC1CC(OC1=O)(C)C(=O)SCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H22N2O3S/c1-11(2)8-12-9-18(3,23-16(12)21)17(22)24-10-15-19-13-6-4-5-7-14(13)20-15/h4-7,11-12H,8-10H2,1-3H3,(H,19,20)