tert-butyl 3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indole-1-carboxylate CAS Name: 3-[oxo-[2-(3-pyridinyl)-4-isothiazolidinyl]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)indole-1-carboxylate Traditional Name: 3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indole-1-carboxylic acid tert-butyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C(=O)C3CN(SC3)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C(=O)C3CN(SC3)C4=CN=CC=C4

InChI

InChI=1S/C22H23N3O3S/c1-22(2,3)28-21(27)24-13-18(17-8-4-5-9-19(17)24)20(26)15-12-25(29-14-15)16-7-6-10-23-11-16/h4-11,13,15H,12,14H2,1-3H3