ethyl 2-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-propan-2-ylphenoxy)-1-oxobutyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-propan-2-ylphenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H27BrN2O6S MolecularWeight: 575.47138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27BrN2O6S/c1-4-34-26(31)24-20(18-7-5-8-19(13-18)29(32)33)15-36-25(24)28-23(30)9-6-12-35-22-11-10-17(16(2)3)14-21(22)27/h5,7-8,10-11,13-16H,4,6,9,12H2,1-3H3,(H,28,30)