dipropan-2-yl 3-methyl-5-[(3-methyl-4-nitro-phenyl)carbonylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dipropan-2-yl 3-methyl-5-[(3-methyl-4-nitro-phenyl)carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: diisopropyl 3-methyl-5-[(3-methyl-4-nitro-benzoyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]thiophene-2,4-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(3-methyl-4-nitro-benzoyl)amino]thiophene-2,4-dicarboxylic acid diisopropyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C(=O)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C(=O)OC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O7S/c1-10(2)29-20(25)16-13(6)17(21(26)30-11(3)4)31-19(16)22-18(24)14-7-8-15(23(27)28)12(5)9-14/h7-11H,1-6H3,(H,22,24)