ethanedioic acid; 2-methyl-3-[4-(4-oxidanyl-4-phenyl-piperidin-1-yl)but-2-ynyl]-1,3-thiazolidin-4-one

Systemtic Name: ethanedioic acid; 2-methyl-3-[4-(4-oxidanyl-4-phenyl-piperidin-1-yl)but-2-ynyl]-1,3-thiazolidin-4-one Openeye Name: 3-[4-(4-hydroxy-4-phenyl-1-piperidyl)but-2-ynyl]-2-methyl-thiazolidin-4-one; oxalic acid CAS Name: 3-[4-(4-hydroxy-4-phenyl-1-piperidinyl)but-2-ynyl]-2-methyl-4-thiazolidinone; oxalic acid IUPAC Name: 3-[4-(4-hydroxy-4-phenylpiperidin-1-yl)but-2-ynyl]-2-methyl-1,3-thiazolidin-4-one; oxalic acid Traditional Name: 3-[4-(4-hydroxy-4-phenyl-piperidino)but-2-ynyl]-2-methyl-thiazolidin-4-one; oxalic acid Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C(=O)CS1)CC#CCN2CCC(CC2)(C3=CC=CC=C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1N(C(=O)CS1)CC#CCN2CCC(CC2)(C3=CC=CC=C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24N2O2S.C2H2O4/c1-16-21(18(22)15-24-16)12-6-5-11-20-13-9-19(23,10-14-20)17-7-3-2-4-8-17;3-1(4)2(5)6/h2-4,7-8,16,23H,9-15H2,1H3;(H,3,4)(H,5,6)