diethyl 3-methyl-5-[[3-methyl-2-(4-nitrophenyl)butanoyl]amino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[3-methyl-2-(4-nitrophenyl)butanoyl]amino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[3-methyl-2-(4-nitrophenyl)butanoyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[3-methyl-2-(4-nitrophenyl)-1-oxobutyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[3-methyl-2-(4-nitrophenyl)butanoyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[3-methyl-2-(4-nitrophenyl)butanoyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O7S/c1-6-30-21(26)17-13(5)18(22(27)31-7-2)32-20(17)23-19(25)16(12(3)4)14-8-10-15(11-9-14)24(28)29/h8-12,16H,6-7H2,1-5H3,(H,23,25)