ethyl 3-isocyano-5-methyl-4-(4-phenoxyphenyl)sulfonyl-pyrrolo[1,2-b]pyridazine-6-carboxylate

Systemtic Name: ethyl 3-isocyano-5-methyl-4-(4-phenoxyphenyl)sulfonyl-pyrrolo[1,2-b]pyridazine-6-carboxylate Openeye Name: ethyl 3-isocyano-5-methyl-4-(4-phenoxyphenyl)sulfonyl-pyrrolo[1,2-b]pyridazine-6-carboxylate CAS Name: 3-isocyano-5-methyl-4-(4-phenoxyphenyl)sulfonyl-6-pyrrolo[1,2-b]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-isocyano-5-methyl-4-(4-phenoxyphenyl)sulfonylpyrrolo[1,2-b]pyridazine-6-carboxylate Traditional Name: 3-isocyano-5-methyl-4-(4-phenoxyphenyl)sulfonyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid ethyl ester Formula: C24H19N3O5S MolecularWeight: 461.48976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN2C(=C1C)C(=C(C=N2)[N+]#[C-])S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN2C(=C1C)C(=C(C=N2)[N+]#[C-])S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H19N3O5S/c1-4-31-24(28)20-15-27-22(16(20)2)23(21(25-3)14-26-27)33(29,30)19-12-10-18(11-13-19)32-17-8-6-5-7-9-17/h5-15H,4H2,1-2H3