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

Systemtic Name: [2-[2-(4-fluorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-[2-(4-fluorobenzoyl)hydrazino]-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-[[(4-fluorophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-[N'-(4-fluorobenzoyl)hydrazino]-2-keto-ethyl] ester Formula: C20H18FN3O4S MolecularWeight: 415.438023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC(=O)NNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC(=O)NNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H18FN3O4S/c21-14-10-8-13(9-11-14)20(27)24-23-17(25)12-28-19(26)7-3-6-18-22-15-4-1-2-5-16(15)29-18/h1-2,4-5,8-11H,3,6-7,12H2,(H,23,25)(H,24,27)