ethyl 5-azanyl-3-[(5-bromanyl-2-oxidanyl-phenyl)carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[(5-bromanyl-2-oxidanyl-phenyl)carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(5-bromo-2-hydroxy-benzoyl)oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(5-bromo-2-hydroxyphenyl)-oxomethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(5-bromo-2-hydroxybenzoyl)oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(5-bromo-2-hydroxy-benzoyl)oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C16H13BrN2O5S MolecularWeight: 425.25382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2O5S/c1-2-23-16(22)13-11(10(6-18)14(19)25-13)7-24-15(21)9-5-8(17)3-4-12(9)20/h3-5,20H,2,7,19H2,1H3