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

Systemtic Name: ethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-5-nitro-thiophene-3-carboxylate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-nitrothiophene-3-carboxylate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C16H11ClN2O5S2 MolecularWeight: 410.85194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C16H11ClN2O5S2/c1-2-24-16(21)9-7-11(19(22)23)26-15(9)18-14(20)13-12(17)8-5-3-4-6-10(8)25-13/h3-7H,2H2,1H3,(H,18,20)