ethyl 5-azanyl-3-[2-(4-bromanylphenoxy)propanoyloxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[2-(4-bromanylphenoxy)propanoyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[2-(4-bromophenoxy)propanoyloxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[2-(4-bromophenoxy)-1-oxopropoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[2-(4-bromophenoxy)propanoyloxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[2-(4-bromophenoxy)propanoyloxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C18H17BrN2O5S MolecularWeight: 453.30698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C(C)OC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C(C)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H17BrN2O5S/c1-3-24-18(23)15-14(13(8-20)16(21)27-15)9-25-17(22)10(2)26-12-6-4-11(19)5-7-12/h4-7,10H,3,9,21H2,1-2H3