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

Systemtic Name: tert-butyl 4-(4-cyanophenyl)carbonyl-1-[(4-cyanophenyl)methylamino]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 4-(4-cyanobenzoyl)-1-[(4-cyanophenyl)methylamino]-2-(thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylate CAS Name: 1-[(4-cyanophenyl)methylamino]-4-[(4-cyanophenyl)-oxomethyl]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-cyanobenzoyl)-1-[(4-cyanophenyl)methylamino]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 4-(4-cyanobenzoyl)-1-[(4-cyanobenzyl)amino]-2-(thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C29H32N5O4S+ MolecularWeight: 546.66048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CC(CC1C(=O)N2CCSC2)C(=O)C3=CC=C(C=C3)C#N)NCC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CC(CC1C(=O)N2CCSC2)C(=O)C3=CC=C(C=C3)C#N)NCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H32N5O4S/c1-29(2,3)38-28(37)34(32-17-22-6-4-20(15-30)5-7-22)18-24(14-25(34)27(36)33-12-13-39-19-33)26(35)23-10-8-21(16-31)9-11-23/h4-11,24-25,32H,12-14,17-19H2,1-3H3/q+1