2-(1,3-benzoxazol-2-ylsulfanyl)butanedioate; dimethylazanium

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)butanedioate; dimethylazanium Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)butanedioate; dimethylammonium CAS Name: 2-(1,3-benzoxazol-2-ylthio)butanedioate; dimethylammonium IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)butanedioate; dimethylazanium Traditional Name: 2-(1,3-benzoxazol-2-ylthio)succinate; dimethylammonium Formula: C13H15N2O5S- MolecularWeight: 311.3336

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C.C1=CC=C2C(=C1)N=C(O2)SC(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C[NH2+]C.C1=CC=C2C(=C1)N=C(O2)SC(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C11H9NO5S.C2H7N/c13-9(14)5-8(10(15)16)18-11-12-6-3-1-2-4-7(6)17-11;1-3-2/h1-4,8H,5H2,(H,13,14)(H,15,16);3H,1-2H3/p-1