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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)propanedioic acid Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)propanedioic acid CAS Name: 2-(1,3-benzoxazol-2-ylthio)propanedioic acid IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)propanedioic acid Traditional Name: 2-(1,3-benzoxazol-2-ylthio)malonic acid Formula: C10H7NO5S MolecularWeight: 253.23128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7NO5S/c12-8(13)7(9(14)15)17-10-11-5-3-1-2-4-6(5)16-10/h1-4,7H,(H,12,13)(H,14,15)