tert-butyl 4-[(2,5-dimethyl-1H-indol-3-yl)carbonyl]-2-pyridin-3-yl-1,2-thiazolidine-3-carboxylate

Systemtic Name: tert-butyl 4-[(2,5-dimethyl-1H-indol-3-yl)carbonyl]-2-pyridin-3-yl-1,2-thiazolidine-3-carboxylate Openeye Name: tert-butyl 4-(2,5-dimethyl-1H-indole-3-carbonyl)-2-(3-pyridyl)isothiazolidine-3-carboxylate CAS Name: 4-[(2,5-dimethyl-1H-indol-3-yl)-oxomethyl]-2-(3-pyridinyl)-3-isothiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2,5-dimethyl-1H-indole-3-carbonyl)-2-pyridin-3-yl-1,2-thiazolidine-3-carboxylate Traditional Name: 4-(2,5-dimethyl-1H-indole-3-carbonyl)-2-(3-pyridyl)isothiazolidine-3-carboxylic acid tert-butyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2C(=O)C3CSN(C3C(=O)OC(C)(C)C)C4=CN=CC=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2C(=O)C3CSN(C3C(=O)OC(C)(C)C)C4=CN=CC=C4)C

InChI

InChI=1S/C24H27N3O3S/c1-14-8-9-19-17(11-14)20(15(2)26-19)22(28)18-13-31-27(16-7-6-10-25-12-16)21(18)23(29)30-24(3,4)5/h6-12,18,21,26H,13H2,1-5H3