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

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

CC(C(=O)O)SCCN1C2=CC=CC=C2OC1=O

Isomeric SMILES

CC(C(=O)O)SCCN1C2=CC=CC=C2OC1=O

InChI

InChI=1S/C12H13NO4S/c1-8(11(14)15)18-7-6-13-9-4-2-3-5-10(9)17-12(13)16/h2-5,8H,6-7H2,1H3,(H,14,15)