[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C20H19FN2O3S MolecularWeight: 386.439863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN2O3S/c21-14-9-11-15(12-10-14)22-18(24)13-26-20(25)8-4-3-7-19-23-16-5-1-2-6-17(16)27-19/h1-2,5-6,9-12H,3-4,7-8,13H2,(H,22,24)