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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)butanedioic acid Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)butanedioic acid CAS Name: 2-(1,3-benzoxazol-2-ylthio)butanedioic acid IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)butanedioic acid Traditional Name: 2-(1,3-benzoxazol-2-ylthio)succinic acid Formula: C11H9NO5S MolecularWeight: 267.25786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9NO5S/c13-9(14)5-8(10(15)16)18-11-12-6-3-1-2-4-7(6)17-11/h1-4,8H,5H2,(H,13,14)(H,15,16)