ethyl 2-[2-(4-chloranyl-3,5-dimethyl-phenoxy)propanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-chloranyl-3,5-dimethyl-phenoxy)propanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-chloro-3,5-dimethyl-phenoxy)propanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxopropyl]amino]-5-methyl-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[2-(4-chloro-3,5-dimethyl-phenoxy)propanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H25ClN2O6S MolecularWeight: 516.9938

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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)C(C)OC3=CC(=C(C(=C3)C)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)C(C)OC3=CC(=C(C(=C3)C)Cl)C

InChI

InChI=1S/C25H25ClN2O6S/c1-6-33-25(30)21-20(17-7-9-18(10-8-17)28(31)32)16(5)35-24(21)27-23(29)15(4)34-19-11-13(2)22(26)14(3)12-19/h7-12,15H,6H2,1-5H3,(H,27,29)