tert-butyl (4R)-4-[(6-bromanyl-1H-indol-3-yl)carbonyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate

Systemtic Name: tert-butyl (4R)-4-[(6-bromanyl-1H-indol-3-yl)carbonyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate Openeye Name: tert-butyl (4R)-4-(6-bromo-1H-indole-3-carbonyl)-2-(3-pyridyl)thiazolidine-3-carboxylate CAS Name: (4R)-4-[(6-bromo-1H-indol-3-yl)-oxomethyl]-2-(3-pyridinyl)-3-thiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R)-4-(6-bromo-1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate Traditional Name: (4R)-4-(6-bromo-1H-indole-3-carbonyl)-2-(3-pyridyl)thiazolidine-3-carboxylic acid tert-butyl ester Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CSC1C2=CN=CC=C2)C(=O)C3=CNC4=C3C=CC(=C4)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H](CSC1C2=CN=CC=C2)C(=O)C3=CNC4=C3C=CC(=C4)Br

InChI

InChI=1S/C22H22BrN3O3S/c1-22(2,3)29-21(28)26-18(12-30-20(26)13-5-4-8-24-10-13)19(27)16-11-25-17-9-14(23)6-7-15(16)17/h4-11,18,20,25H,12H2,1-3H3/t18-,20?/m0/s1