[2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C25H21FN2O3S MolecularWeight: 448.509243

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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)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)F)OC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H21FN2O3S/c26-18-13-15-19(16-14-18)27-25(30)24(17-7-2-1-3-8-17)31-23(29)12-6-11-22-28-20-9-4-5-10-21(20)32-22/h1-5,7-10,13-16,24H,6,11-12H2,(H,27,30)