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

Systemtic Name: 5-(5-chloranylthiophen-2-yl)-5-methyl-3-(1,2-oxazol-3-ylmethyl)-4H-imidazole-2,4-dicarboxylic acid Openeye Name: 5-(5-chloro-2-thienyl)-3-(isoxazol-3-ylmethyl)-5-methyl-4H-imidazole-2,4-dicarboxylic acid CAS Name: 5-(5-chloro-2-thiophenyl)-3-(3-isoxazolylmethyl)-5-methyl-4H-imidazole-2,4-dicarboxylic acid IUPAC Name: 5-(5-chlorothiophen-2-yl)-5-methyl-3-(1,2-oxazol-3-ylmethyl)-4H-imidazole-2,4-dicarboxylic acid Traditional Name: 5-(5-chloro-2-thienyl)-3-(isoxazol-3-ylmethyl)-5-methyl-2-imidazoline-2,4-dicarboxylic acid Formula: C14H12ClN3O5S MolecularWeight: 369.78018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C(=N1)C(=O)O)CC2=NOC=C2)C(=O)O)C3=CC=C(S3)Cl

Isomeric SMILES

CC1(C(N(C(=N1)C(=O)O)CC2=NOC=C2)C(=O)O)C3=CC=C(S3)Cl

InChI

InChI=1S/C14H12ClN3O5S/c1-14(8-2-3-9(15)24-8)10(12(19)20)18(11(16-14)13(21)22)6-7-4-5-23-17-7/h2-5,10H,6H2,1H3,(H,19,20)(H,21,22)