[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 2-(4-fluorophenyl)thiazole-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-thiazolecarboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-fluorophenyl)thiazole-4-carboxylic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C19H12FN3O3S MolecularWeight: 381.380283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)COC(=O)C2=CSC(=N2)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)COC(=O)C2=CSC(=N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H12FN3O3S/c20-14-5-3-13(4-6-14)18-23-16(11-27-18)19(25)26-10-17(24)22-15-7-1-12(9-21)2-8-15/h1-8,11H,10H2,(H,22,24)