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diethyl 2-[(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]propanedioate

diethyl 2-[(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]propanedioate

Systemtic Name:diethyl 2-[(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]propanedioate
Openeye Name:diethyl 2-[(6-nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]propanedioate
CAS Name:2-[(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]propanedioic acid diethyl ester
IUPAC Name:diethyl 2-[(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]propanedioate
Traditional Name:2-[(6-nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]malonic acid diethyl ester
Formula: C15H15N3O6S
MolecularWeight: 365.3611
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN1C2=C(C=CC(=C2)[N+](=O)[O-])NC1=S)C(=O)OCC


Isomeric SMILES

CCOC(=O)C(=CN1C2=C(C=CC(=C2)[N+](=O)[O-])NC1=S)C(=O)OCC


InChI

InChI=1S/C15H15N3O6S/c1-3-23-13(19)10(14(20)24-4-2)8-17-12-7-9(18(21)22)5-6-11(12)16-15(17)25/h5-8H,3-4H2,1-2H3,(H,16,25)


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