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

Systemtic Name: ethyl 2-[(5-nitrofuran-2-yl)carbonylamino]-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-isopropylphenyl)-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate CAS Name: 2-[[(5-nitro-2-furanyl)-oxomethyl]amino]-4-(4-propan-2-ylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-nitrofuran-2-carbonyl)amino]-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(5-nitro-2-furoyl)amino]-4-p-cumenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)C)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)C)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O6S/c1-4-28-21(25)18-15(14-7-5-13(6-8-14)12(2)3)11-30-20(18)22-19(24)16-9-10-17(29-16)23(26)27/h5-12H,4H2,1-3H3,(H,22,24)