5-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(5-esyl-1,3-benzoxazol-2-yl)thio]methyl]-2-furoic acid Formula: C15H13NO6S2 MolecularWeight: 367.39682

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC3=CC=C(O3)C(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C15H13NO6S2/c1-2-24(19,20)10-4-6-12-11(7-10)16-15(22-12)23-8-9-3-5-13(21-9)14(17)18/h3-7H,2,8H2,1H3,(H,17,18)