[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-morpholin-4-yl-4-phenyl-thiophene-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-morpholin-4-yl-4-phenyl-thiophene-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 5-morpholino-4-phenyl-thiophene-2-carboxylate CAS Name: 5-(4-morpholinyl)-4-phenyl-2-thiophenecarboxylic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate Traditional Name: 5-morpholino-4-phenyl-thiophene-2-carboxylic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C26H24FN3O4S MolecularWeight: 493.549863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(S2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3F)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=C(C=C(S2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3F)C4=CC=CC=C4

InChI

InChI=1S/C26H24FN3O4S/c27-21-9-4-5-10-22(21)30(12-6-11-28)24(31)18-34-26(32)23-17-20(19-7-2-1-3-8-19)25(35-23)29-13-15-33-16-14-29/h1-5,7-10,17H,6,12-16,18H2