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

Systemtic Name: ethyl 2-[1-(2-iodanyl-5-oxidanyl-phenyl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[1-(5-hydroxy-2-iodo-benzoyl)-4-piperidyl]thiazole-4-carboxylate CAS Name: 2-[1-[(5-hydroxy-2-iodophenyl)-oxomethyl]-4-piperidinyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(5-hydroxy-2-iodobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[1-(5-hydroxy-2-iodo-benzoyl)-4-piperidyl]thiazole-4-carboxylic acid ethyl ester Formula: C18H19IN2O4S MolecularWeight: 486.32393

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)C3=C(C=CC(=C3)O)I

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)C3=C(C=CC(=C3)O)I

InChI

InChI=1S/C18H19IN2O4S/c1-2-25-18(24)15-10-26-16(20-15)11-5-7-21(8-6-11)17(23)13-9-12(22)3-4-14(13)19/h3-4,9-11,22H,2,5-8H2,1H3