ethyl 4-(4-butylphenyl)-2-[(5-nitrofuran-2-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-butylphenyl)-2-[(5-nitrofuran-2-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-butylphenyl)-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-butylphenyl)-2-[[(5-nitro-2-furanyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butylphenyl)-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-butylphenyl)-2-[(5-nitro-2-furoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O6S/c1-3-5-6-14-7-9-15(10-8-14)16-13-31-21(19(16)22(26)29-4-2)23-20(25)17-11-12-18(30-17)24(27)28/h7-13H,3-6H2,1-2H3,(H,23,25)