O4-ethyl O2-propan-2-yl 3-methyl-5-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-propan-2-yl 3-methyl-5-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-isopropyl 3-methyl-5-[(4-methyl-3,5-dinitro-benzoyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(4-methyl-3,5-dinitrophenyl)-oxomethyl]amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-propan-2-yl ester IUPAC Name: 4-O-ethyl 2-O-propan-2-yl 3-methyl-5-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-methyl-3,5-dinitro-benzoyl)amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-isopropyl ester Formula: C20H21N3O9S MolecularWeight: 479.46044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O9S/c1-6-31-19(25)15-11(5)16(20(26)32-9(2)3)33-18(15)21-17(24)12-7-13(22(27)28)10(4)14(8-12)23(29)30/h7-9H,6H2,1-5H3,(H,21,24)