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

Systemtic Name: ethyl 2-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(2-bromo-4,5-dimethoxyphenyl)-1-oxopropyl]amino]-4-(4-ethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H28BrNO6S MolecularWeight: 562.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C26H28BrNO6S/c1-5-33-18-10-7-16(8-11-18)19-15-35-25(24(19)26(30)34-6-2)28-23(29)12-9-17-13-21(31-3)22(32-4)14-20(17)27/h7-8,10-11,13-15H,5-6,9,12H2,1-4H3,(H,28,29)