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

Systemtic Name: tert-butyl 4-[[6-(2-phenylethynyl)-1H-indol-3-yl]carbonyl]-2-pyridin-3-yl-1,2-thiazolidine-3-carboxylate Openeye Name: tert-butyl 4-[6-(2-phenylethynyl)-1H-indole-3-carbonyl]-2-(3-pyridyl)isothiazolidine-3-carboxylate CAS Name: 4-[oxo-[6-(2-phenylethynyl)-1H-indol-3-yl]methyl]-2-(3-pyridinyl)-3-isothiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-(2-phenylethynyl)-1H-indole-3-carbonyl]-2-pyridin-3-yl-1,2-thiazolidine-3-carboxylate Traditional Name: 4-[6-(2-phenylethynyl)-1H-indole-3-carbonyl]-2-(3-pyridyl)isothiazolidine-3-carboxylic acid tert-butyl ester Formula: C30H27N3O3S MolecularWeight: 509.61868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(CSN1C2=CN=CC=C2)C(=O)C3=CNC4=C3C=CC(=C4)C#CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)C1C(CSN1C2=CN=CC=C2)C(=O)C3=CNC4=C3C=CC(=C4)C#CC5=CC=CC=C5

InChI

InChI=1S/C30H27N3O3S/c1-30(2,3)36-29(35)27-25(19-37-33(27)22-10-7-15-31-17-22)28(34)24-18-32-26-16-21(13-14-23(24)26)12-11-20-8-5-4-6-9-20/h4-10,13-18,25,27,32H,19H2,1-3H3