1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanone Openeye Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanone CAS Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]ethanone IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]ethanone Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazino]-2-[(4-methoxy-3-nitro-benzyl)thio]ethanone Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5S/c1-30-22-5-3-18(13-20(22)26(28)29)15-32-16-23(27)25-9-7-24(8-10-25)14-17-2-4-21-19(12-17)6-11-31-21/h2-5,12-13H,6-11,14-16H2,1H3