ethyl 5-azanyl-4-cyano-3-[[4-(4-fluorophenyl)carbonylphenoxy]methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(4-fluorophenyl)carbonylphenoxy]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-(4-fluorobenzoyl)phenoxy]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[4-[(4-fluorophenyl)-oxomethyl]phenoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(4-fluorobenzoyl)phenoxy]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-(4-fluorobenzoyl)phenoxy]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C22H17FN2O4S MolecularWeight: 424.444783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H17FN2O4S/c1-2-28-22(27)20-18(17(11-24)21(25)30-20)12-29-16-9-5-14(6-10-16)19(26)13-3-7-15(23)8-4-13/h3-10H,2,12,25H2,1H3