(3E)-3-[1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene]-1-(cyclopentylmethyl)quinoline-2,4-dione

Systemtic Name: (3E)-3-[1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene]-1-(cyclopentylmethyl)quinoline-2,4-dione Openeye Name: (3E)-1-(cyclopentylmethyl)-3-(1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene)quinoline-2,4-dione CAS Name: (3E)-1-(cyclopentylmethyl)-3-(1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene)quinoline-2,4-dione IUPAC Name: (3E)-1-(cyclopentylmethyl)-3-(1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene)quinoline-2,4-dione Traditional Name: (3E)-1-(cyclopentylmethyl)-3-(1,1-diketo-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene)quinoline-2,4-quinone Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CN2C3=CC=CC=C3C(=O)C(=C4NC5=CC=CC=C5S(=O)(=O)N4)C2=O

Isomeric SMILES

C1CCC(C1)CN2C3=CC=CC=C3C(=O)/C(=C\4/NC5=CC=CC=C5S(=O)(=O)N4)/C2=O

InChI

InChI=1S/C22H21N3O4S/c26-20-15-9-3-5-11-17(15)25(13-14-7-1-2-8-14)22(27)19(20)21-23-16-10-4-6-12-18(16)30(28,29)24-21/h3-6,9-12,14,23-24H,1-2,7-8,13H2/b21-19+