tert-butyl 4-(5-bromanyl-2,3-dihydroindol-1-yl)-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-bromanyl-2,3-dihydroindol-1-yl)-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(5-bromoindolin-1-yl)-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(5-bromo-2,3-dihydroindol-1-yl)-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-bromo-2,3-dihydroindol-1-yl)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(5-bromoindolin-1-yl)-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H28BrN3O3S MolecularWeight: 482.43432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N3CCC4=C3C=CC(=C4)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N3CCC4=C3C=CC(=C4)Br

InChI

InChI=1S/C21H28BrN3O3S/c1-21(2,3)28-20(27)25-12-16(11-18(25)19(26)23-8-9-29-13-23)24-7-6-14-10-15(22)4-5-17(14)24/h4-5,10,16,18H,6-9,11-13H2,1-3H3