1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-iodanyl-5-methyl-imidazole-4-carboxylic acid

Systemtic Name: 1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-iodanyl-5-methyl-imidazole-4-carboxylic acid Openeye Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-2-iodo-5-methyl-imidazole-4-carboxylic acid CAS Name: 1-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]-2-iodo-5-methyl-4-imidazolecarboxylic acid IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-iodo-5-methylimidazole-4-carboxylic acid Traditional Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-2-iodo-5-methyl-imidazole-4-carboxylic acid Formula: C13H9ClIN3O3S MolecularWeight: 449.65133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1CC2=NOC(=C2)C3=CC=C(S3)Cl)I)C(=O)O

Isomeric SMILES

CC1=C(N=C(N1CC2=NOC(=C2)C3=CC=C(S3)Cl)I)C(=O)O

InChI

InChI=1S/C13H9ClIN3O3S/c1-6-11(12(19)20)16-13(15)18(6)5-7-4-8(21-17-7)9-2-3-10(14)22-9/h2-4H,5H2,1H3,(H,19,20)