3,5-dimethyl-4,4-bis(oxidanylidene)pyrazolo[3,4-c][2,1]benzothiazepin-10-one

Systemtic Name: 3,5-dimethyl-4,4-bis(oxidanylidene)pyrazolo[3,4-c][2,1]benzothiazepin-10-one Openeye Name: 3,5-dimethyl-4,4-dioxo-pyrazolo[3,4-c][2,1]benzothiazepin-10-one CAS Name: 3,5-dimethyl-4,4-dioxo-10-pyrazolo[3,4-c][2,1]benzothiazepinone IUPAC Name: 3,5-dimethyl-4,4-dioxopyrazolo[3,4-c][2,1]benzothiazepin-10-one Traditional Name: 4,4-diketo-3,5-dimethyl-pyrazolo[3,4-c][2,1]benzothiazepin-10-one Formula: C12H11N3O3S MolecularWeight: 277.29904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C3=C(S1(=O)=O)N(N=C3)C

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C3=C(S1(=O)=O)N(N=C3)C

InChI

InChI=1S/C12H11N3O3S/c1-14-12-9(7-13-14)11(16)8-5-3-4-6-10(8)15(2)19(12,17)18/h3-7H,1-2H3