ethyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-5-oxidanylidene-oxolane-2-carboxylate

Systemtic Name: ethyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-5-oxidanylidene-oxolane-2-carboxylate Openeye Name: ethyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-5-oxo-tetrahydrofuran-2-carboxylate CAS Name: 2-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]-5-oxo-2-oxolanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-5-oxooxolane-2-carboxylate Traditional Name: 2-[2-(1H-benzimidazol-2-ylthio)acetyl]-5-keto-tetrahydrofuran-2-carboxylic acid ethyl ester Formula: C16H16N2O5S MolecularWeight: 348.37364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC(=O)O1)C(=O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)C1(CCC(=O)O1)C(=O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C16H16N2O5S/c1-2-22-14(21)16(8-7-13(20)23-16)12(19)9-24-15-17-10-5-3-4-6-11(10)18-15/h3-6H,2,7-9H2,1H3,(H,17,18)