propyl 4-(3,4-dimethylphenyl)-2-[(5-nitrofuran-2-yl)carbonylamino]thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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