[4-(7-ethyl-6-oxidanylidene-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-3-methoxy-phenyl] ethanesulfonate

Systemtic Name: [4-(7-ethyl-6-oxidanylidene-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-3-methoxy-phenyl] ethanesulfonate Openeye Name: [4-(7-ethyl-6-oxo-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-3-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-(7-ethyl-6-oxo-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-3-methoxyphenyl] ester IUPAC Name: [4-(7-ethyl-6-oxo-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-3-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-(7-ethyl-6-keto-5,7-dihydro-1H-pyrrolo[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:

CCC1C2=CC3=C(C=C2NC1=O)N=C(N3)C4=C(C=C(C=C4)OS(=O)(=O)CC)OC

Isomeric SMILES

CCC1C2=CC3=C(C=C2NC1=O)N=C(N3)C4=C(C=C(C=C4)OS(=O)(=O)CC)OC

InChI

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