5-[3-[2-oxidanylidene-6-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]piperidin-1-yl]propyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 5-[3-[2-oxidanylidene-6-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]piperidin-1-yl]propyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 5-[3-[2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-6-oxo-1-piperidyl]propyl]thiazole-2-carboxylic acid CAS Name: 5-[3-[2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-6-oxo-1-piperidinyl]propyl]-2-thiazolecarboxylic acid IUPAC Name: 5-[3-[2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-6-oxopiperidin-1-yl]propyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 5-[3-[2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-6-keto-piperidino]propyl]thiazole-2-carboxylic acid Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C(=O)C1)CCCC2=CN=C(S2)C(=O)O)C=CC(CC3=CC=CC=C3)O

Isomeric SMILES

C1CC(N(C(=O)C1)CCCC2=CN=C(S2)C(=O)O)/C=C/C(CC3=CC=CC=C3)O

InChI

InChI=1S/C22H26N2O4S/c25-18(14-16-6-2-1-3-7-16)12-11-17-8-4-10-20(26)24(17)13-5-9-19-15-23-21(29-19)22(27)28/h1-3,6-7,11-12,15,17-18,25H,4-5,8-10,13-14H2,(H,27,28)/b12-11+