[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] 6-methyl-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 6-methyl-2,3-dihydro-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] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 6-methyl-2,3-dihydrobenzothiophene-2-carboxylic acid [2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)OCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)OCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4)C=C1

InChI

InChI=1S/C21H22N2O5S/c1-14-4-5-15-12-18(29-17(15)11-14)21(26)28-13-19(24)22-6-8-23(9-7-22)20(25)16-3-2-10-27-16/h2-5,10-11,18H,6-9,12-13H2,1H3