3-[2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethylsulfanyl]propanoic acid

Systemtic Name: 3-[2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethylsulfanyl]propanoic acid Openeye Name: 3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylsulfanyl]propanoic acid CAS Name: 3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylthio]propanoic acid IUPAC Name: 3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylsulfanyl]propanoic acid Traditional Name: 3-[2-(2-keto-1,3-benzoxazol-3-yl)ethylthio]propionic acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4S/c14-11(15)5-7-18-8-6-13-9-3-1-2-4-10(9)17-12(13)16/h1-4H,5-8H2,(H,14,15)