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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O6S/c1-12(2)10-13-4-6-14(7-5-13)15-11-30-20(18(15)21(25)28-3)22-19(24)16-8-9-17(29-16)23(26)27/h4-9,11-12H,10H2,1-3H3,(H,22,24)