ethyl 2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[(1,3-dioxoisoindolin-2-yl)methylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[(1,3-dioxo-2-isoindolyl)methylthio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]-1-ethylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-(phthalimidomethylthio)benzimidazole-5-carboxylic acid ethyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19N3O4S/c1-3-23-17-10-9-13(20(27)28-4-2)11-16(17)22-21(23)29-12-24-18(25)14-7-5-6-8-15(14)19(24)26/h5-11H,3-4,12H2,1-2H3