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

Systemtic Name: propyl 4-(4-methoxyphenyl)-5-methyl-2-[(5-nitrofuran-2-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: propyl 4-(4-methoxyphenyl)-5-methyl-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-5-methyl-2-[[(5-nitro-2-furanyl)-oxomethyl]amino]-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 4-(4-methoxyphenyl)-5-methyl-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)-5-methyl-2-[(5-nitro-2-furoyl)amino]thiophene-3-carboxylic acid propyl ester Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O7S/c1-4-11-29-21(25)18-17(13-5-7-14(28-3)8-6-13)12(2)31-20(18)22-19(24)15-9-10-16(30-15)23(26)27/h5-10H,4,11H2,1-3H3,(H,22,24)