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

Systemtic Name: ethyl 2-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(2-bromo-4,5-dimethoxyphenyl)-1-oxopropyl]amino]-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H28BrNO7S MolecularWeight: 578.47202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28BrNO7S/c1-6-35-26(30)24-17(15-7-9-19(31-2)20(11-15)32-3)14-36-25(24)28-23(29)10-8-16-12-21(33-4)22(34-5)13-18(16)27/h7,9,11-14H,6,8,10H2,1-5H3,(H,28,29)