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

Systemtic Name: 3-ethyl-5-methyl-4,4-bis(oxidanylidene)pyrazolo[3,4-c][2,1]benzothiazepin-10-one Openeye Name: 3-ethyl-5-methyl-4,4-dioxo-pyrazolo[3,4-c][2,1]benzothiazepin-10-one CAS Name: 3-ethyl-5-methyl-4,4-dioxo-10-pyrazolo[3,4-c][2,1]benzothiazepinone IUPAC Name: 3-ethyl-5-methyl-4,4-dioxopyrazolo[3,4-c][2,1]benzothiazepin-10-one Traditional Name: 3-ethyl-4,4-diketo-5-methyl-pyrazolo[3,4-c][2,1]benzothiazepin-10-one Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=O)C3=CC=CC=C3N(S2(=O)=O)C

Isomeric SMILES

CCN1C2=C(C=N1)C(=O)C3=CC=CC=C3N(S2(=O)=O)C

InChI

InChI=1S/C13H13N3O3S/c1-3-16-13-10(8-14-16)12(17)9-6-4-5-7-11(9)15(2)20(13,18)19/h4-8H,3H2,1-2H3