3-(1,3-benzoxazol-2-ylmethylsulfanyl)propanoic acid

Systemtic Name: 3-(1,3-benzoxazol-2-ylmethylsulfanyl)propanoic acid Openeye Name: 3-(1,3-benzoxazol-2-ylmethylsulfanyl)propanoic acid CAS Name: 3-(1,3-benzoxazol-2-ylmethylthio)propanoic acid IUPAC Name: 3-(1,3-benzoxazol-2-ylmethylsulfanyl)propanoic acid Traditional Name: 3-(1,3-benzoxazol-2-ylmethylthio)propionic acid Formula: C11H11NO3S MolecularWeight: 237.27494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO3S/c13-11(14)5-6-16-7-10-12-8-3-1-2-4-9(8)15-10/h1-4H,5-7H2,(H,13,14)