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

Systemtic Name: tert-butyl (4R)-4-[1-(dimethylcarbamoyl)-6-(2-phenylethynyl)indol-3-yl]carbonyl-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate Openeye Name: tert-butyl (4R)-4-[1-(dimethylcarbamoyl)-6-(2-phenylethynyl)indole-3-carbonyl]-2-(3-pyridyl)thiazolidine-3-carboxylate CAS Name: (4R)-4-[[1-[dimethylamino(oxo)methyl]-6-(2-phenylethynyl)-3-indolyl]-oxomethyl]-2-(3-pyridinyl)-3-thiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R)-4-[1-(dimethylcarbamoyl)-6-(2-phenylethynyl)indole-3-carbonyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate Traditional Name: (4R)-4-[1-(dimethylcarbamoyl)-6-(2-phenylethynyl)indole-3-carbonyl]-2-(3-pyridyl)thiazolidine-3-carboxylic acid tert-butyl ester Formula: C33H32N4O4S MolecularWeight: 580.69658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CSC1C2=CN=CC=C2)C(=O)C3=CN(C4=C3C=CC(=C4)C#CC5=CC=CC=C5)C(=O)N(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H](CSC1C2=CN=CC=C2)C(=O)C3=CN(C4=C3C=CC(=C4)C#CC5=CC=CC=C5)C(=O)N(C)C

InChI

InChI=1S/C33H32N4O4S/c1-33(2,3)41-32(40)37-28(21-42-30(37)24-12-9-17-34-19-24)29(38)26-20-36(31(39)35(4)5)27-18-23(15-16-25(26)27)14-13-22-10-7-6-8-11-22/h6-12,15-20,28,30H,21H2,1-5H3/t28-,30?/m0/s1