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

Systemtic Name: [2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2-azanyl-4-fluoranyl-benzoate Openeye Name: [2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 2-amino-4-fluoro-benzoate CAS Name: 2-amino-4-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] 2-amino-4-fluorobenzoate Traditional Name: 2-amino-4-fluoro-benzoic acid [2-[4-[(5-chloro-2-thienyl)methyl]piperazino]-2-keto-ethyl] ester Formula: C18H19ClFN3O3S MolecularWeight: 411.878163

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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)F)N

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClFN3O3S/c19-16-4-2-13(27-16)10-22-5-7-23(8-6-22)17(24)11-26-18(25)14-3-1-12(20)9-15(14)21/h1-4,9H,5-8,10-11,21H2