5-[(4-oxidanidyl-6-thiophen-2-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[(4-oxidanidyl-6-thiophen-2-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[[4-oxido-6-(2-thienyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4-oxido-6-thiophen-2-yl-2-pyrimidinyl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(4-oxido-6-thiophen-2-ylpyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-oxido-6-(2-thienyl)pyrimidin-2-yl]thio]methyl]-2-furoate Formula: C14H8N2O4S2-2 MolecularWeight: 332.35432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NC(=N2)SCC3=CC=C(O3)C(=O)[O-])[O-]

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NC(=N2)SCC3=CC=C(O3)C(=O)[O-])[O-]

InChI

InChI=1S/C14H10N2O4S2/c17-12-6-9(11-2-1-5-21-11)15-14(16-12)22-7-8-3-4-10(20-8)13(18)19/h1-6H,7H2,(H,18,19)(H,15,16,17)/p-2