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

Systemtic Name: diethyl 2-[(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]-3-oxidanylidene-butanedioate Openeye Name: diethyl 2-[(6-nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]-3-oxo-butanedioate CAS Name: 2-[(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]-3-oxobutanedioic acid diethyl ester IUPAC Name: diethyl 2-[(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]-3-oxobutanedioate Traditional Name: 2-keto-3-[(6-nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]succinic acid diethyl ester Formula: C16H15N3O7S MolecularWeight: 393.3712

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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)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O7S/c1-3-25-14(21)10(13(20)15(22)26-4-2)8-18-12-7-9(19(23)24)5-6-11(12)17-16(18)27/h5-8H,3-4H2,1-2H3,(H,17,27)