5-[(4-thiophen-2-ylpyrimidin-2-yl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-[(4-thiophen-2-ylpyrimidin-2-yl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[[4-(2-thienyl)pyrimidin-2-yl]sulfanylmethyl]isoxazole-3-carboxylic acid CAS Name: 5-[[(4-thiophen-2-yl-2-pyrimidinyl)thio]methyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[(4-thiophen-2-ylpyrimidin-2-yl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[[[4-(2-thienyl)pyrimidin-2-yl]thio]methyl]isoxazole-3-carboxylic acid Formula: C13H9N3O3S2 MolecularWeight: 319.35886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=NC=C2)SCC3=CC(=NO3)C(=O)O

Isomeric SMILES

C1=CSC(=C1)C2=NC(=NC=C2)SCC3=CC(=NO3)C(=O)O

InChI

InChI=1S/C13H9N3O3S2/c17-12(18)10-6-8(19-16-10)7-21-13-14-4-3-9(15-13)11-2-1-5-20-11/h1-6H,7H2,(H,17,18)