O4-ethyl O2-propan-2-yl 5-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-propan-2-yl 5-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-isopropyl 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 O4-ethyl ester O2-propan-2-yl ester IUPAC Name: 4-O-ethyl 2-O-propan-2-yl 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 O4-ethyl ester O2-isopropyl ester Formula: C23H28BrNO7S MolecularWeight: 542.43992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrNO7S/c1-7-31-22(27)19-13(4)20(23(28)32-12(2)3)33-21(19)25-18(26)9-8-14-10-16(29-5)17(30-6)11-15(14)24/h10-12H,7-9H2,1-6H3,(H,25,26)