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

Systemtic Name: diethyl 2-[[6-[oxidanidyl(oxidanyl)amino]-2-sulfanylidene-3H-benzimidazol-1-yl]methylidene]propanedioate Openeye Name: diethyl 2-[[6-[hydroxy(oxido)amino]-2-thioxo-3H-benzimidazol-1-yl]methylene]propanedioate CAS Name: 2-[[6-[hydroxy(oxido)amino]-2-sulfanylidene-3H-benzimidazol-1-yl]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[6-[hydroxy(oxido)amino]-2-sulfanylidene-3H-benzimidazol-1-yl]methylidene]propanedioate Traditional Name: 2-[[6-[hydroxy(oxido)amino]-2-thioxo-3H-benzimidazol-1-yl]methylene]malonic acid diethyl ester Formula: C15H16N3O6S- MolecularWeight: 366.36904

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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/C15H16N3O6S/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/h5-8,21H,3-4H2,1-2H3,(H,16,25)/q-1