tert-butyl 5-bromanyl-6-cyclohexyl-4-[2-(dimethylamino)-2-oxidanylidene-ethyl]thieno[3,2-b]pyrrole-2-carboxylate

Systemtic Name: tert-butyl 5-bromanyl-6-cyclohexyl-4-[2-(dimethylamino)-2-oxidanylidene-ethyl]thieno[3,2-b]pyrrole-2-carboxylate Openeye Name: tert-butyl 5-bromo-6-cyclohexyl-4-[2-(dimethylamino)-2-oxo-ethyl]thieno[3,2-b]pyrrole-2-carboxylate CAS Name: 5-bromo-6-cyclohexyl-4-[2-(dimethylamino)-2-oxoethyl]-2-thieno[3,2-b]pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-bromo-6-cyclohexyl-4-[2-(dimethylamino)-2-oxoethyl]thieno[3,2-b]pyrrole-2-carboxylate Traditional Name: 5-bromo-6-cyclohexyl-4-[2-(dimethylamino)-2-keto-ethyl]thieno[3,2-b]pyrrole-2-carboxylic acid tert-butyl ester Formula: C21H29BrN2O3S MolecularWeight: 469.43556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(S1)C(=C(N2CC(=O)N(C)C)Br)C3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(S1)C(=C(N2CC(=O)N(C)C)Br)C3CCCCC3

InChI

InChI=1S/C21H29BrN2O3S/c1-21(2,3)27-20(26)15-11-14-18(28-15)17(13-9-7-6-8-10-13)19(22)24(14)12-16(25)23(4)5/h11,13H,6-10,12H2,1-5H3