ethyl 3-(1H-benzimidazol-2-ylsulfanyl)-5,5-dimethyl-2-oxidanylidene-oxolane-3-carboxylate

Systemtic Name: ethyl 3-(1H-benzimidazol-2-ylsulfanyl)-5,5-dimethyl-2-oxidanylidene-oxolane-3-carboxylate Openeye Name: ethyl 3-(1H-benzimidazol-2-ylsulfanyl)-5,5-dimethyl-2-oxo-tetrahydrofuran-3-carboxylate CAS Name: 3-(1H-benzimidazol-2-ylthio)-5,5-dimethyl-2-oxo-3-oxolanecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(1H-benzimidazol-2-ylsulfanyl)-5,5-dimethyl-2-oxooxolane-3-carboxylate Traditional Name: 3-(1H-benzimidazol-2-ylthio)-2-keto-5,5-dimethyl-tetrahydrofuran-3-carboxylic acid ethyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S/c1-4-21-12(19)16(9-15(2,3)22-13(16)20)23-14-17-10-7-5-6-8-11(10)18-14/h5-8H,4,9H2,1-3H3,(H,17,18)