2-(1,3-benzoxazol-2-ylsulfanylmethyl)pentanedioic acid

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)pentanedioic acid Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)pentanedioic acid CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]pentanedioic acid IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)pentanedioic acid Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]glutaric acid Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C13H13NO5S/c15-11(16)6-5-8(12(17)18)7-20-13-14-9-3-1-2-4-10(9)19-13/h1-4,8H,5-7H2,(H,15,16)(H,17,18)