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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1NC(=O)C3=CC=CC=C3S2(=O)=O)C

Isomeric SMILES

CC1=NN(C2=C1NC(=O)C3=CC=CC=C3S2(=O)=O)C

InChI

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