[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-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] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester Formula: C20H17N3O7S MolecularWeight: 443.42988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C20H17N3O7S/c24-18(21-5-7-22(8-6-21)19(25)15-2-1-9-29-15)12-30-20(26)17-11-13-10-14(23(27)28)3-4-16(13)31-17/h1-4,9-11H,5-8,12H2