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

Systemtic Name: [4-(7,7-diethyl-6-oxidanylidene-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-3-methoxy-phenyl] methanesulfonate Openeye Name: [4-(7,7-diethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-3-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(7,7-diethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-3-methoxyphenyl] ester IUPAC Name: [4-(7,7-diethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-3-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(7,7-diethyl-6-keto-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-3-methoxy-phenyl] ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC3=C(C=C2NC1=O)N=C(N3)C4=C(C=C(C=C4)OS(=O)(=O)C)OC)CC

Isomeric SMILES

CCC1(C2=CC3=C(C=C2NC1=O)N=C(N3)C4=C(C=C(C=C4)OS(=O)(=O)C)OC)CC

InChI

InChI=1S/C21H23N3O5S/c1-5-21(6-2)14-10-16-17(11-15(14)24-20(21)25)23-19(22-16)13-8-7-12(9-18(13)28-3)29-30(4,26)27/h7-11H,5-6H2,1-4H3,(H,22,23)(H,24,25)