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

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)furan-2-carboxylic acid Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)furan-2-carboxylic acid CAS Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-2-furancarboxylic acid IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)furan-2-carboxylic acid Traditional Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-2-furoic acid Formula: C13H9NO3S2 MolecularWeight: 291.34546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(O3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C13H9NO3S2/c15-12(16)10-6-5-8(17-10)7-18-13-14-9-3-1-2-4-11(9)19-13/h1-6H,7H2,(H,15,16)