4-[1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-2-yl]butan-2-one

Systemtic Name: 4-[1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-2-yl]butan-2-one Openeye Name: 4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)butan-2-one CAS Name: 4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-2-butanone IUPAC Name: 4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)butan-2-one Traditional Name: 4-(1,1-diketo-3H-1,2-benzothiazol-2-yl)butan-2-one Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1CC2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CC(=O)CCN1CC2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C11H13NO3S/c1-9(13)6-7-12-8-10-4-2-3-5-11(10)16(12,14)15/h2-5H,6-8H2,1H3