[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester Formula: C20H16ClFN2O5S MolecularWeight: 450.867843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)C(=O)C4=CC=CO4

InChI

InChI=1S/C20H16ClFN2O5S/c21-17-13-4-3-12(22)10-15(13)30-18(17)20(27)29-11-16(25)23-5-7-24(8-6-23)19(26)14-2-1-9-28-14/h1-4,9-10H,5-8,11H2