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

Systemtic Name: 5-tert-butyl-2-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]pyrazole-3-carboxylic acid Openeye Name: 5-tert-butyl-2-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]pyrazole-3-carboxylic acid CAS Name: 5-tert-butyl-2-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-tert-butyl-2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]pyrazole-3-carboxylic acid Traditional Name: 5-tert-butyl-2-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]pyrazole-3-carboxylic acid Formula: C16H16ClN3O3S MolecularWeight: 365.83454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)O)CC2=NOC(=C2)C3=CC=C(S3)Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)O)CC2=NOC(=C2)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H16ClN3O3S/c1-16(2,3)13-7-10(15(21)22)20(18-13)8-9-6-11(23-19-9)12-4-5-14(17)24-12/h4-7H,8H2,1-3H3,(H,21,22)