2-(3-methylbut-3-enyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-(3-methylbut-3-enyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-(3-methylbut-3-enyl)-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-(3-methylbut-3-enyl)-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-(3-methylbut-3-enyl)-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-(3-methylbut-3-enyl)-1,2-benzothiazol-3-one Formula: C12H13NO3S MolecularWeight: 251.30152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CCN1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CC(=C)CCN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C12H13NO3S/c1-9(2)7-8-13-12(14)10-5-3-4-6-11(10)17(13,15)16/h3-6H,1,7-8H2,2H3