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

Systemtic Name: 3-(1,3-benzoxazol-2-ylsulfanyl)butan-2-one Openeye Name: 3-(1,3-benzoxazol-2-ylsulfanyl)butan-2-one CAS Name: 3-(1,3-benzoxazol-2-ylthio)-2-butanone IUPAC Name: 3-(1,3-benzoxazol-2-ylsulfanyl)butan-2-one Traditional Name: 3-(1,3-benzoxazol-2-ylthio)butan-2-one Formula: C11H11NO2S MolecularWeight: 221.27554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NC2=CC=CC=C2O1

Isomeric SMILES

CC(C(=O)C)SC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C11H11NO2S/c1-7(13)8(2)15-11-12-9-5-3-4-6-10(9)14-11/h3-6,8H,1-2H3