6-methylsulfanyl-2-(2-oxidanylidenepropyl)-3,1-benzoxazin-4-one

Systemtic Name: 6-methylsulfanyl-2-(2-oxidanylidenepropyl)-3,1-benzoxazin-4-one Openeye Name: 2-acetonyl-6-methylsulfanyl-3,1-benzoxazin-4-one CAS Name: 6-(methylthio)-2-(2-oxopropyl)-3,1-benzoxazin-4-one IUPAC Name: 6-methylsulfanyl-2-(2-oxopropyl)-3,1-benzoxazin-4-one Traditional Name: 2-acetonyl-6-(methylthio)-3,1-benzoxazin-4-one Formula: C12H11NO3S MolecularWeight: 249.28564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NC2=C(C=C(C=C2)SC)C(=O)O1

Isomeric SMILES

CC(=O)CC1=NC2=C(C=C(C=C2)SC)C(=O)O1

InChI

InChI=1S/C12H11NO3S/c1-7(14)5-11-13-10-4-3-8(17-2)6-9(10)12(15)16-11/h3-4,6H,5H2,1-2H3