ethyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-ethyl-2-oxidanylidene-oxolane-3-carboxylate hydrochloride

Systemtic Name: ethyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-ethyl-2-oxidanylidene-oxolane-3-carboxylate hydrochloride Openeye Name: ethyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-ethyl-2-oxo-tetrahydrofuran-3-carboxylate hydrochloride CAS Name: 5-[(1H-benzimidazol-2-ylthio)methyl]-3-ethyl-2-oxo-3-oxolanecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-ethyl-2-oxooxolane-3-carboxylate hydrochloride Traditional Name: 5-[(1H-benzimidazol-2-ylthio)methyl]-3-ethyl-2-keto-tetrahydrofuran-3-carboxylic acid ethyl ester hydrochloride Formula: C17H21ClN2O4S MolecularWeight: 384.87764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(OC1=O)CSC2=NC3=CC=CC=C3N2)C(=O)OCC.Cl

Isomeric SMILES

CCC1(CC(OC1=O)CSC2=NC3=CC=CC=C3N2)C(=O)OCC.Cl

InChI

InChI=1S/C17H20N2O4S.ClH/c1-3-17(14(20)22-4-2)9-11(23-15(17)21)10-24-16-18-12-7-5-6-8-13(12)19-16;/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,19);1H