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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C

InChI

InChI=1S/C21H20N2O6S/c1-4-5-13-6-8-14(9-7-13)17-12(2)30-20(18(17)21(25)28-3)22-19(24)15-10-11-16(29-15)23(26)27/h6-11H,4-5H2,1-3H3,(H,22,24)