ethyl 6-phenyl-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazole-8-carboxylate

Systemtic Name: ethyl 6-phenyl-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazole-8-carboxylate Openeye Name: ethyl 6-phenyl-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazole-8-carboxylate CAS Name: 6-phenyl-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazole-8-carboxylic acid ethyl ester IUPAC Name: ethyl 6-phenyl-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazole-8-carboxylate Traditional Name: 6-phenyl-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazole-8-carboxylic acid ethyl ester Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CC=C3C2=NSN3)C(=N1)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C2C(=CC=C3C2=NSN3)C(=N1)C4=CC=CC=C4

InChI

InChI=1S/C17H13N3O2S/c1-2-22-17(21)16-13-11(8-9-12-15(13)20-23-19-12)14(18-16)10-6-4-3-5-7-10/h3-9,19H,2H2,1H3