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

Systemtic Name: O2-tert-butyl O4-ethyl 3-methyl-5-[(4-nitrophenyl)carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 3-methyl-5-[(4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(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-[(4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7S/c1-6-28-18(24)14-11(2)15(19(25)29-20(3,4)5)30-17(14)21-16(23)12-7-9-13(10-8-12)22(26)27/h7-10H,6H2,1-5H3,(H,21,23)