ethyl 5-nitro-2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-nitro-2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-nitro-2-[(5-nitrobenzothiophene-2-carbonyl)amino]thiophene-3-carboxylate CAS Name: 5-nitro-2-[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-nitro-2-[(5-nitro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 5-nitro-2-[(5-nitrobenzothiophene-2-carbonyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C16H11N3O7S2 MolecularWeight: 421.40444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O7S2/c1-2-26-16(21)10-7-13(19(24)25)28-15(10)17-14(20)12-6-8-5-9(18(22)23)3-4-11(8)27-12/h3-7H,2H2,1H3,(H,17,20)