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

Systemtic Name: 1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]pyrrole-2,5-dicarboxylic acid Openeye Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]pyrrole-2,5-dicarboxylic acid CAS Name: 1-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]pyrrole-2,5-dicarboxylic acid IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]pyrrole-2,5-dicarboxylic acid Traditional Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]pyrrole-2,5-dicarboxylic acid Formula: C14H9ClN2O5S MolecularWeight: 352.74966

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Cl)C2=CC(=NO2)CN3C(=CC=C3C(=O)O)C(=O)O

Isomeric SMILES

C1=C(SC(=C1)Cl)C2=CC(=NO2)CN3C(=CC=C3C(=O)O)C(=O)O

InChI

InChI=1S/C14H9ClN2O5S/c15-12-4-3-11(23-12)10-5-7(16-22-10)6-17-8(13(18)19)1-2-9(17)14(20)21/h1-5H,6H2,(H,18,19)(H,20,21)