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

Systemtic Name: ethyl 5-azanyl-3-[2-(3-bromanylphenoxy)ethanoyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[2-(3-bromophenoxy)acetyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[2-(3-bromophenoxy)-1-oxoethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[2-(3-bromophenoxy)acetyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[2-(3-bromophenoxy)acetyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C17H15BrN2O5S MolecularWeight: 439.2804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)COC2=CC(=CC=C2)Br

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)COC2=CC(=CC=C2)Br

InChI

InChI=1S/C17H15BrN2O5S/c1-2-23-17(22)15-13(12(7-19)16(20)26-15)8-25-14(21)9-24-11-5-3-4-10(18)6-11/h3-6H,2,8-9,20H2,1H3