O2-tert-butyl O4-ethyl 3-methyl-5-[(3-methyl-4-nitro-phenyl)carbonylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-ethyl 3-methyl-5-[(3-methyl-4-nitro-phenyl)carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 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 O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 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 O2-tert-butyl ester O4-ethyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C21H24N2O7S/c1-7-29-19(25)15-12(3)16(20(26)30-21(4,5)6)31-18(15)22-17(24)13-8-9-14(23(27)28)11(2)10-13/h8-10H,7H2,1-6H3,(H,22,24)