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diethyl 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]propanedioate

diethyl 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]propanedioate

Systemtic Name:diethyl 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]propanedioate
Openeye Name:diethyl 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]propanedioate
CAS Name:2-[(6-nitro-1H-benzimidazol-2-yl)thio]propanedioic acid diethyl ester
IUPAC Name:diethyl 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]propanedioate
Traditional Name:2-[(6-nitro-1H-benzimidazol-2-yl)thio]malonic acid diethyl ester
Formula: C14H15N3O6S
MolecularWeight: 353.3504
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]


Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]


InChI

InChI=1S/C14H15N3O6S/c1-3-22-12(18)11(13(19)23-4-2)24-14-15-9-6-5-8(17(20)21)7-10(9)16-14/h5-7,11H,3-4H2,1-2H3,(H,15,16)


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