2-(1,3-benzoxazol-2-ylsulfanyl)heptanedioic acid

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)heptanedioic acid Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)heptanedioic acid CAS Name: 2-(1,3-benzoxazol-2-ylthio)heptanedioic acid IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)heptanedioic acid Traditional Name: 2-(1,3-benzoxazol-2-ylthio)pimelic acid Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SC(CCCCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SC(CCCCC(=O)O)C(=O)O

InChI

InChI=1S/C14H15NO5S/c16-12(17)8-4-3-7-11(13(18)19)21-14-15-9-5-1-2-6-10(9)20-14/h1-2,5-6,11H,3-4,7-8H2,(H,16,17)(H,18,19)