[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-(furan-2-ylcarbonylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-(furan-2-ylcarbonylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 5-(furan-2-carbonylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-furanyl(oxo)methyl]amino]-3-methyl-2-thiophenecarboxylic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate Traditional Name: 5-(2-furoylamino)-3-methyl-thiophene-2-carboxylic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C22H18FN3O5S MolecularWeight: 455.458823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C2=CC=CO2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3F

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C2=CC=CO2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3F

InChI

InChI=1S/C22H18FN3O5S/c1-14-12-18(25-21(28)17-8-4-11-30-17)32-20(14)22(29)31-13-19(27)26(10-5-9-24)16-7-3-2-6-15(16)23/h2-4,6-8,11-12H,5,10,13H2,1H3,(H,25,28)