diethyl 5-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(2-bromo-4,5-dimethoxyphenyl)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H26BrNO7S MolecularWeight: 528.41334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO7S/c1-6-30-21(26)18-12(3)19(22(27)31-7-2)32-20(18)24-17(25)9-8-13-10-15(28-4)16(29-5)11-14(13)23/h10-11H,6-9H2,1-5H3,(H,24,25)