[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C19H14FN3O3S MolecularWeight: 383.396163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCC#N)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3)F

Isomeric SMILES

C1=CC(=CC=C1N(CCC#N)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3)F

InChI

InChI=1S/C19H14FN3O3S/c20-14-3-5-15(6-4-14)23(9-1-8-21)18(24)11-26-19(25)13-2-7-16-17(10-13)27-12-22-16/h2-7,10,12H,1,9,11H2