ethyl 5-[[5-[(4-bromanylphenoxy)methyl]furan-2-yl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[5-[(4-bromanylphenoxy)methyl]furan-2-yl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[5-[(4-bromophenoxy)methyl]-2-furanyl]-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[5-[(4-bromophenoxy)methyl]-2-furoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H17BrN2O5S MolecularWeight: 489.33908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)Br)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)Br)C#N)C

InChI

InChI=1S/C21H17BrN2O5S/c1-3-27-21(26)18-12(2)16(10-23)20(30-18)24-19(25)17-9-8-15(29-17)11-28-14-6-4-13(22)5-7-14/h4-9H,3,11H2,1-2H3,(H,24,25)