[2-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[1-(3-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H17FN2O3S MolecularWeight: 408.445383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)F)C)C(=O)COC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)F)C)C(=O)COC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C22H17FN2O3S/c1-13-8-18(14(2)25(13)17-5-3-4-16(23)10-17)20(26)11-28-22(27)15-6-7-19-21(9-15)29-12-24-19/h3-10,12H,11H2,1-2H3