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

Systemtic Name: ethyl 2-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[3-(2-bromo-4,5-dimethoxyphenyl)-1-oxopropyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H24BrNO5S MolecularWeight: 470.37726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCC2=CC(=C(C=C2Br)OC)OC)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCC2=CC(=C(C=C2Br)OC)OC)C(=O)OCC

InChI

InChI=1S/C20H24BrNO5S/c1-5-13-10-14(20(24)27-6-2)19(28-13)22-18(23)8-7-12-9-16(25-3)17(26-4)11-15(12)21/h9-11H,5-8H2,1-4H3,(H,22,23)