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

Systemtic Name: dimethyl 5-azanyl-3-[2-(3-bromanylphenoxy)ethanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[2-(3-bromophenoxy)acetyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[2-(3-bromophenoxy)-1-oxoethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[2-(3-bromophenoxy)acetyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[2-(3-bromophenoxy)acetyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H16BrNO7S MolecularWeight: 458.28044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)COC2=CC(=CC=C2)Br)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)COC2=CC(=CC=C2)Br)C(=O)OC)N

InChI

InChI=1S/C17H16BrNO7S/c1-23-16(21)13-11(14(17(22)24-2)27-15(13)19)7-26-12(20)8-25-10-5-3-4-9(18)6-10/h3-6H,7-8,19H2,1-2H3