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

Systemtic Name: ethyl 2-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[4-(4-chloro-3,5-dimethylphenoxy)-1-oxobutyl]amino]-5-methyl-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H27ClN2O6S MolecularWeight: 531.02038

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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=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)CCCOC3=CC(=C(C(=C3)C)Cl)C

InChI

InChI=1S/C26H27ClN2O6S/c1-5-34-26(31)23-22(18-8-10-19(11-9-18)29(32)33)17(4)36-25(23)28-21(30)7-6-12-35-20-13-15(2)24(27)16(3)14-20/h8-11,13-14H,5-7,12H2,1-4H3,(H,28,30)