ethyl 2-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(2-bromo-4,5-dimethoxyphenyl)-1-oxopropyl]amino]-4-(3,4-dimethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H28BrNO5S MolecularWeight: 546.47322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=O)CCC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=O)CCC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C26H28BrNO5S/c1-6-33-26(30)24-19(17-8-7-15(2)16(3)11-17)14-34-25(24)28-23(29)10-9-18-12-21(31-4)22(32-5)13-20(18)27/h7-8,11-14H,6,9-10H2,1-5H3,(H,28,29)