ethyl 5-[2-[1-(2-iodanyl-5-oxidanyl-phenyl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 5-[2-[1-(2-iodanyl-5-oxidanyl-phenyl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-[2-[1-(5-hydroxy-2-iodo-benzoyl)-4-piperidyl]thiazol-4-yl]isoxazole-3-carboxylate CAS Name: 5-[2-[1-[(5-hydroxy-2-iodophenyl)-oxomethyl]-4-piperidinyl]-4-thiazolyl]-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[1-(5-hydroxy-2-iodobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate Traditional Name: 5-[2-[1-(5-hydroxy-2-iodo-benzoyl)-4-piperidyl]thiazol-4-yl]isoxazole-3-carboxylic acid ethyl ester Formula: C21H20IN3O5S MolecularWeight: 553.37007

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(C=CC(=C4)O)I

Isomeric SMILES

CCOC(=O)C1=NOC(=C1)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(C=CC(=C4)O)I

InChI

InChI=1S/C21H20IN3O5S/c1-2-29-21(28)16-10-18(30-24-16)17-11-31-19(23-17)12-5-7-25(8-6-12)20(27)14-9-13(26)3-4-15(14)22/h3-4,9-12,26H,2,5-8H2,1H3