ethyl 5-[4-(1-benzothiophen-2-ylcarbonyl)piperazin-1-yl]sulfonylfuran-2-carboxylate

Systemtic Name: ethyl 5-[4-(1-benzothiophen-2-ylcarbonyl)piperazin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[4-(benzothiophene-2-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxylate CAS Name: 5-[[4-[1-benzothiophen-2-yl(oxo)methyl]-1-piperazinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-[4-(benzothiophene-2-carbonyl)piperazino]sulfonylfuran-2-carboxylic acid ethyl ester Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N2O6S2/c1-2-27-20(24)15-7-8-18(28-15)30(25,26)22-11-9-21(10-12-22)19(23)17-13-14-5-3-4-6-16(14)29-17/h3-8,13H,2,9-12H2,1H3