6-(2-pyridin-2-ylsulfanylpropanoyl)-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-(2-pyridin-2-ylsulfanylpropanoyl)-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(2-pyridylsulfanyl)propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-(2-pyridinylthio)propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-(2-pyridin-2-ylsulfanylpropanoyl)-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(2-pyridylthio)propanoyl]-4H-1,4-benzoxazin-3-one Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=CC=CC=N3

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=CC=CC=N3

InChI

InChI=1S/C16H14N2O3S/c1-10(22-15-4-2-3-7-17-15)16(20)11-5-6-13-12(8-11)18-14(19)9-21-13/h2-8,10H,9H2,1H3,(H,18,19)