ethyl 8-[(6-ethoxycarbonyl-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazol-8-yl)methyl]-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazole-6-carboxylate

Systemtic Name: ethyl 8-[(6-ethoxycarbonyl-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazol-8-yl)methyl]-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazole-6-carboxylate Openeye Name: ethyl 8-[(6-ethoxycarbonyl-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazol-8-yl)methyl]-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazole-6-carboxylate CAS Name: 8-[(6-ethoxycarbonyl-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazol-8-yl)methyl]-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[(6-ethoxycarbonyl-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazol-8-yl)methyl]-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazole-6-carboxylate Traditional Name: 8-[(6-carbethoxy-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazol-8-yl)methyl]-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazole-6-carboxylic acid ethyl ester Formula: C23H18N6O4S2 MolecularWeight: 506.55682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=C2C1=CC=C3C2=NSN3)CC4=C5C(=CC=C6C5=NSN6)C(=N4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=NC(=C2C1=CC=C3C2=NSN3)CC4=C5C(=CC=C6C5=NSN6)C(=N4)C(=O)OCC

InChI

InChI=1S/C23H18N6O4S2/c1-3-32-22(30)18-10-5-7-12-20(28-34-26-12)16(10)14(24-18)9-15-17-11(19(25-15)23(31)33-4-2)6-8-13-21(17)29-35-27-13/h5-8,26-27H,3-4,9H2,1-2H3