5-(1,3-benzoxazol-2-ylsulfanyl)pentanoate

Systemtic Name: 5-(1,3-benzoxazol-2-ylsulfanyl)pentanoate Openeye Name: 5-(1,3-benzoxazol-2-ylsulfanyl)pentanoate CAS Name: 5-(1,3-benzoxazol-2-ylthio)pentanoate IUPAC Name: 5-(1,3-benzoxazol-2-ylsulfanyl)pentanoate Traditional Name: 5-(1,3-benzoxazol-2-ylthio)valerate Formula: C12H12NO3S- MolecularWeight: 250.29358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCCCCC(=O)[O-]

InChI

InChI=1S/C12H13NO3S/c14-11(15)7-3-4-8-17-12-13-9-5-1-2-6-10(9)16-12/h1-2,5-6H,3-4,7-8H2,(H,14,15)/p-1