ethyl 3-[(3-cyanophenyl)carbonylamino]-5-(4-fluorophenyl)thiophene-2-carboxylate

Systemtic Name: ethyl 3-[(3-cyanophenyl)carbonylamino]-5-(4-fluorophenyl)thiophene-2-carboxylate Openeye Name: ethyl 3-[(3-cyanobenzoyl)amino]-5-(4-fluorophenyl)thiophene-2-carboxylate CAS Name: 3-[[(3-cyanophenyl)-oxomethyl]amino]-5-(4-fluorophenyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-cyanobenzoyl)amino]-5-(4-fluorophenyl)thiophene-2-carboxylate Traditional Name: 3-[(3-cyanobenzoyl)amino]-5-(4-fluorophenyl)thiophene-2-carboxylic acid ethyl ester Formula: C21H15FN2O3S MolecularWeight: 394.418803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15FN2O3S/c1-2-27-21(26)19-17(11-18(28-19)14-6-8-16(22)9-7-14)24-20(25)15-5-3-4-13(10-15)12-23/h3-11H,2H2,1H3,(H,24,25)