tert-butyl 4-(2-azanyl-2-oxidanylidene-ethyl)-1-[(4-cyanophenyl)methylamino]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 4-(2-azanyl-2-oxidanylidene-ethyl)-1-[(4-cyanophenyl)methylamino]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 4-(2-amino-2-oxo-ethyl)-1-[(4-cyanophenyl)methylamino]-2-(thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylate CAS Name: 4-(2-amino-2-oxoethyl)-1-[(4-cyanophenyl)methylamino]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-amino-2-oxoethyl)-1-[(4-cyanophenyl)methylamino]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 4-(2-amino-2-keto-ethyl)-1-[(4-cyanobenzyl)amino]-2-(thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C23H32N5O4S+ MolecularWeight: 474.59628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CC(CC1C(=O)N2CCSC2)CC(=O)N)NCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CC(CC1C(=O)N2CCSC2)CC(=O)N)NCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H31N5O4S/c1-23(2,3)32-22(31)28(26-13-17-6-4-16(12-24)5-7-17)14-18(11-20(25)29)10-19(28)21(30)27-8-9-33-15-27/h4-7,18-19,26H,8-11,13-15H2,1-3H3,(H-,25,29)/p+1