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

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H15FN2O3S MolecularWeight: 406.429503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)F)OC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)F)OC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C22H15FN2O3S/c23-16-7-9-17(10-8-16)25-21(26)20(14-4-2-1-3-5-14)28-22(27)15-6-11-18-19(12-15)29-13-24-18/h1-13,20H,(H,25,26)