1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Openeye Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-4-(5-methyl-2-thienyl)butane-1,4-dione CAS Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-4-(5-methyl-2-thiophenyl)butane-1,4-dione IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazino]-4-(5-methyl-2-thienyl)butane-1,4-dione Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H26N2O3S/c1-16-2-6-21(28-16)19(25)4-7-22(26)24-11-9-23(10-12-24)15-17-3-5-20-18(14-17)8-13-27-20/h2-3,5-6,14H,4,7-13,15H2,1H3