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

Systemtic Name: tert-butyl 4-[(6-phenyl-1H-indol-3-yl)carbonyl]-2-pyridin-3-yl-1,2-thiazolidine-3-carboxylate Openeye Name: tert-butyl 4-(6-phenyl-1H-indole-3-carbonyl)-2-(3-pyridyl)isothiazolidine-3-carboxylate CAS Name: 4-[oxo-(6-phenyl-1H-indol-3-yl)methyl]-2-(3-pyridinyl)-3-isothiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-phenyl-1H-indole-3-carbonyl)-2-pyridin-3-yl-1,2-thiazolidine-3-carboxylate Traditional Name: 4-(6-phenyl-1H-indole-3-carbonyl)-2-(3-pyridyl)isothiazolidine-3-carboxylic acid tert-butyl ester Formula: C28H27N3O3S MolecularWeight: 485.59728

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O3S/c1-28(2,3)34-27(33)25-23(17-35-31(25)20-10-7-13-29-15-20)26(32)22-16-30-24-14-19(11-12-21(22)24)18-8-5-4-6-9-18/h4-16,23,25,30H,17H2,1-3H3