tert-butyl 1-[(5-cyanopyridin-2-yl)amino]-4-(phenylmethyl)-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[(5-cyanopyridin-2-yl)amino]-4-(phenylmethyl)-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 4-benzyl-1-[(5-cyano-2-pyridyl)amino]-2-(thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylate CAS Name: 1-[(5-cyano-2-pyridinyl)amino]-2-[oxo(3-thiazolidinyl)methyl]-4-(phenylmethyl)-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-benzyl-1-[(5-cyanopyridin-2-yl)amino]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 4-benzyl-1-[(5-cyano-2-pyridyl)amino]-2-(thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C26H32N5O3S+ MolecularWeight: 494.62898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CC(CC1C(=O)N2CCSC2)CC3=CC=CC=C3)NC4=NC=C(C=C4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CC(CC1C(=O)N2CCSC2)CC3=CC=CC=C3)NC4=NC=C(C=C4)C#N

InChI

InChI=1S/C26H32N5O3S/c1-26(2,3)34-25(33)31(29-23-10-9-20(15-27)16-28-23)17-21(13-19-7-5-4-6-8-19)14-22(31)24(32)30-11-12-35-18-30/h4-10,16,21-22H,11-14,17-18H2,1-3H3,(H,28,29)/q+1