[4-(7,7-dimethyl-6-oxidanylidene-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-3-methoxy-phenyl] ethanesulfonate

Systemtic Name: [4-(7,7-dimethyl-6-oxidanylidene-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-3-methoxy-phenyl] ethanesulfonate Openeye Name: [4-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-3-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-3-methoxyphenyl] ester IUPAC Name: [4-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-3-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-(6-keto-7,7-dimethyl-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-3-methoxy-phenyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC(=C(C=C1)C2=NC3=C(N2)C=C4C(=C3)NC(=O)C4(C)C)OC

Isomeric SMILES

CCS(=O)(=O)OC1=CC(=C(C=C1)C2=NC3=C(N2)C=C4C(=C3)NC(=O)C4(C)C)OC

InChI

InChI=1S/C20H21N3O5S/c1-5-29(25,26)28-11-6-7-12(17(8-11)27-4)18-21-15-9-13-14(10-16(15)22-18)23-19(24)20(13,2)3/h6-10H,5H2,1-4H3,(H,21,22)(H,23,24)