5-(1,3-benzoxazol-2-ylsulfanylmethyl)furan-2-carboxylic acid

Systemtic Name: 5-(1,3-benzoxazol-2-ylsulfanylmethyl)furan-2-carboxylic acid Openeye Name: 5-(1,3-benzoxazol-2-ylsulfanylmethyl)furan-2-carboxylic acid CAS Name: 5-[(1,3-benzoxazol-2-ylthio)methyl]-2-furancarboxylic acid IUPAC Name: 5-(1,3-benzoxazol-2-ylsulfanylmethyl)furan-2-carboxylic acid Traditional Name: 5-[(1,3-benzoxazol-2-ylthio)methyl]-2-furoic acid Formula: C13H9NO4S MolecularWeight: 275.27986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC3=CC=C(O3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C13H9NO4S/c15-12(16)11-6-5-8(17-11)7-19-13-14-9-3-1-2-4-10(9)18-13/h1-6H,7H2,(H,15,16)