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

Systemtic Name: ethyl 2-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[3-(2-bromo-4,5-dimethoxyphenyl)-1-oxopropyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H24BrNO6S MolecularWeight: 498.38736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CCC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CCC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C21H24BrNO6S/c1-6-29-21(26)18-11(2)19(12(3)24)30-20(18)23-17(25)8-7-13-9-15(27-4)16(28-5)10-14(13)22/h9-10H,6-8H2,1-5H3,(H,23,25)