tert-butyl 8-methylsulfanyl-7-oxidanylidene-6,8-dihydropyrrolo[3,2-e]benzimidazole-3-carboxylate

Systemtic Name: tert-butyl 8-methylsulfanyl-7-oxidanylidene-6,8-dihydropyrrolo[3,2-e]benzimidazole-3-carboxylate Openeye Name: tert-butyl 8-methylsulfanyl-7-oxo-6,8-dihydropyrrolo[3,2-e]benzimidazole-3-carboxylate CAS Name: 8-(methylthio)-7-oxo-6,8-dihydropyrrolo[3,2-e]benzimidazole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-methylsulfanyl-7-oxo-6,8-dihydropyrrolo[3,2-e]benzimidazole-3-carboxylate Traditional Name: 7-keto-8-(methylthio)-6,8-dihydropyrrolo[3,2-e]benzimidazole-3-carboxylic acid tert-butyl ester Formula: C15H17N3O3S MolecularWeight: 319.37878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=NC2=C1C=CC3=C2C(C(=O)N3)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1C=NC2=C1C=CC3=C2C(C(=O)N3)SC

InChI

InChI=1S/C15H17N3O3S/c1-15(2,3)21-14(20)18-7-16-11-9(18)6-5-8-10(11)12(22-4)13(19)17-8/h5-7,12H,1-4H3,(H,17,19)