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

Systemtic Name: [2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [2-(3-fluoroanilino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-(3-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoroanilino)-2-oxoethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [2-(3-fluoroanilino)-2-keto-ethyl] ester Formula: C19H17FN2O3S2 MolecularWeight: 404.478283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)OCC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)OCC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C19H17FN2O3S2/c20-13-5-3-6-14(11-13)21-17(23)12-25-18(24)9-4-10-26-19-22-15-7-1-2-8-16(15)27-19/h1-3,5-8,11H,4,9-10,12H2,(H,21,23)