[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 4-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 4-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 4-bromo-2-fluoro-benzoate CAS Name: 4-bromo-2-fluorobenzoic acid [2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl] 4-bromo-2-fluorobenzoate Traditional Name: 4-bromo-2-fluoro-benzoic acid [2-[4-[(5-chloro-2-thienyl)methyl]piperazino]-2-keto-ethyl] ester Formula: C18H17BrClFN2O3S MolecularWeight: 475.759583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)COC(=O)C3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)COC(=O)C3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H17BrClFN2O3S/c19-12-1-3-14(15(21)9-12)18(25)26-11-17(24)23-7-5-22(6-8-23)10-13-2-4-16(20)27-13/h1-4,9H,5-8,10-11H2