dimethyl 5-azanyl-3-[2-(4-bromanylphenoxy)propanoyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[2-(4-bromanylphenoxy)propanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[2-(4-bromophenoxy)propanoyloxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[2-(4-bromophenoxy)-1-oxopropoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[2-(4-bromophenoxy)propanoyloxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[2-(4-bromophenoxy)propanoyloxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H18BrNO7S MolecularWeight: 472.30702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=C(SC(=C1C(=O)OC)N)C(=O)OC)OC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)OCC1=C(SC(=C1C(=O)OC)N)C(=O)OC)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H18BrNO7S/c1-9(27-11-6-4-10(19)5-7-11)16(21)26-8-12-13(17(22)24-2)15(20)28-14(12)18(23)25-3/h4-7,9H,8,20H2,1-3H3