ethyl 2-[4-(2,5-dimethylphenoxy)butanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(2,5-dimethylphenoxy)butanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2,5-dimethylphenoxy)butanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[4-(2,5-dimethylphenoxy)-1-oxobutyl]amino]-5-methyl-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2,5-dimethylphenoxy)butanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(2,5-dimethylphenoxy)butanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H28N2O6S MolecularWeight: 496.57532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)CCCOC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)CCCOC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C26H28N2O6S/c1-5-33-26(30)24-23(19-10-12-20(13-11-19)28(31)32)18(4)35-25(24)27-22(29)7-6-14-34-21-15-16(2)8-9-17(21)3/h8-13,15H,5-7,14H2,1-4H3,(H,27,29)