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

Systemtic Name: 1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-methyl-imidazole-2,4-dicarboxylic acid Openeye Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-5-methyl-imidazole-2,4-dicarboxylic acid CAS Name: 1-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]-5-methylimidazole-2,4-dicarboxylic acid IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazole-2,4-dicarboxylic acid Traditional Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-5-methyl-imidazole-2,4-dicarboxylic acid Formula: C14H10ClN3O5S MolecularWeight: 367.7643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10ClN3O5S/c1-6-11(13(19)20)16-12(14(21)22)18(6)5-7-4-8(23-17-7)9-2-3-10(15)24-9/h2-4H,5H2,1H3,(H,19,20)(H,21,22)