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

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C21H19FN2O4S MolecularWeight: 414.449963

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2)F

InChI

InChI=1S/C21H19FN2O4S/c1-13(25)23-14-9-10-15(16(22)11-14)18(26)12-28-21(27)8-4-7-20-24-17-5-2-3-6-19(17)29-20/h2-3,5-6,9-11H,4,7-8,12H2,1H3,(H,23,25)