3-(1H-benzimidazol-2-ylsulfanyl)-5,5-dimethyl-3-propanoyl-oxolan-2-one

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanyl)-5,5-dimethyl-3-propanoyl-oxolan-2-one Openeye Name: 3-(1H-benzimidazol-2-ylsulfanyl)-5,5-dimethyl-3-propanoyl-tetrahydrofuran-2-one CAS Name: 3-(1H-benzimidazol-2-ylthio)-5,5-dimethyl-3-(1-oxopropyl)-2-oxolanone IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanyl)-5,5-dimethyl-3-propanoyloxolan-2-one Traditional Name: 3-(1H-benzimidazol-2-ylthio)-5,5-dimethyl-3-propionyl-tetrahydrofuran-2-one Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(CC(OC1=O)(C)C)SC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCC(=O)C1(CC(OC1=O)(C)C)SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C16H18N2O3S/c1-4-12(19)16(9-15(2,3)21-13(16)20)22-14-17-10-7-5-6-8-11(10)18-14/h5-8H,4,9H2,1-3H3,(H,17,18)