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

Systemtic Name: tert-butyl 4-[(6-chloranyl-1H-indol-3-yl)carbonyl]-2-pyridin-3-yl-1,2-thiazolidine-3-carboxylate Openeye Name: tert-butyl 4-(6-chloro-1H-indole-3-carbonyl)-2-(3-pyridyl)isothiazolidine-3-carboxylate CAS Name: 4-[(6-chloro-1H-indol-3-yl)-oxomethyl]-2-(3-pyridinyl)-3-isothiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-chloro-1H-indole-3-carbonyl)-2-pyridin-3-yl-1,2-thiazolidine-3-carboxylate Traditional Name: 4-(6-chloro-1H-indole-3-carbonyl)-2-(3-pyridyl)isothiazolidine-3-carboxylic acid tert-butyl ester Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O3S/c1-22(2,3)29-21(28)19-17(12-30-26(19)14-5-4-8-24-10-14)20(27)16-11-25-18-9-13(23)6-7-15(16)18/h4-11,17,19,25H,12H2,1-3H3