1-(2,5-dimethylthiophen-3-yl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(2,5-dimethyl-3-thienyl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-4-[4-(2-ethoxyphenyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(2,5-dimethyl-3-thienyl)-4-(4-o-phenetylpiperazino)butane-1,4-dione Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CCC(=O)C3=C(SC(=C3)C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CCC(=O)C3=C(SC(=C3)C)C

InChI

InChI=1S/C22H28N2O3S/c1-4-27-21-8-6-5-7-19(21)23-11-13-24(14-12-23)22(26)10-9-20(25)18-15-16(2)28-17(18)3/h5-8,15H,4,9-14H2,1-3H3