(3R,5S)-5-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-3-butyl-5-methyl-oxolan-2-one

Systemtic Name: (3R,5S)-5-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-3-butyl-5-methyl-oxolan-2-one Openeye Name: (3R,5S)-5-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-3-butyl-5-methyl-tetrahydrofuran-2-one CAS Name: (3R,5S)-5-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]-3-butyl-5-methyl-2-oxolanone IUPAC Name: (3R,5S)-5-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-3-butyl-5-methyloxolan-2-one Traditional Name: (3R,5S)-5-[2-(1H-benzimidazol-2-ylthio)acetyl]-3-butyl-5-methyl-tetrahydrofuran-2-one Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(OC1=O)(C)C(=O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCCC[C@@H]1C[C@@](OC1=O)(C)C(=O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H22N2O3S/c1-3-4-7-12-10-18(2,23-16(12)22)15(21)11-24-17-19-13-8-5-6-9-14(13)20-17/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,19,20)/t12-,18+/m1/s1