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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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