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

Systemtic Name: O2-tert-butyl O4-ethyl 3-methyl-5-[2-(4-nitrophenyl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 3-methyl-5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-(4-nitrophenyl)-1-oxoethyl]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-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O7S/c1-6-29-19(25)16-12(2)17(20(26)30-21(3,4)5)31-18(16)22-15(24)11-13-7-9-14(10-8-13)23(27)28/h7-10H,6,11H2,1-5H3,(H,22,24)