3-(1,3-benzoxazol-2-ylsulfanyl)azepan-2-one

Systemtic Name: 3-(1,3-benzoxazol-2-ylsulfanyl)azepan-2-one Openeye Name: 3-(1,3-benzoxazol-2-ylsulfanyl)azepan-2-one CAS Name: 3-(1,3-benzoxazol-2-ylthio)-2-azepanone IUPAC Name: 3-(1,3-benzoxazol-2-ylsulfanyl)azepan-2-one Traditional Name: 3-(1,3-benzoxazol-2-ylthio)azepan-2-one Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C13H14N2O2S/c16-12-11(7-3-4-8-14-12)18-13-15-9-5-1-2-6-10(9)17-13/h1-2,5-6,11H,3-4,7-8H2,(H,14,16)