2-[2-ethyl-3,5-bis(oxidanyl)-6-thiophen-3-ylcarbonyl-phenyl]-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-[2-ethyl-3,5-bis(oxidanyl)-6-thiophen-3-ylcarbonyl-phenyl]-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone Openeye Name: 2-[2-ethyl-3,5-dihydroxy-6-(thiophene-3-carbonyl)phenyl]-1-[4-(hydroxymethyl)-1-piperidyl]ethanone CAS Name: 2-[2-ethyl-3,5-dihydroxy-6-[oxo(3-thiophenyl)methyl]phenyl]-1-[4-(hydroxymethyl)-1-piperidinyl]ethanone IUPAC Name: 2-[2-ethyl-3,5-dihydroxy-6-(thiophene-3-carbonyl)phenyl]-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone Traditional Name: 2-[2-ethyl-3,5-dihydroxy-6-(3-thenoyl)phenyl]-1-(4-methylolpiperidino)ethanone Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1CC(=O)N2CCC(CC2)CO)C(=O)C3=CSC=C3)O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1CC(=O)N2CCC(CC2)CO)C(=O)C3=CSC=C3)O)O

InChI

InChI=1S/C21H25NO5S/c1-2-15-16(9-19(26)22-6-3-13(11-23)4-7-22)20(18(25)10-17(15)24)21(27)14-5-8-28-12-14/h5,8,10,12-13,23-25H,2-4,6-7,9,11H2,1H3