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

Systemtic Name: 1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 1-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-5-methyl-pyrazole-3-carboxylic acid Formula: C13H10ClN3O3S MolecularWeight: 323.7548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=NOC(=C2)C3=CC=C(S3)Cl)C(=O)O

Isomeric SMILES

CC1=CC(=NN1CC2=NOC(=C2)C3=CC=C(S3)Cl)C(=O)O

InChI

InChI=1S/C13H10ClN3O3S/c1-7-4-9(13(18)19)15-17(7)6-8-5-10(20-16-8)11-2-3-12(14)21-11/h2-5H,6H2,1H3,(H,18,19)