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

Systemtic Name: tert-butyl 1-[(4-cyanophenyl)methylamino]-4-(2-oxidanylidene-2-phenylmethoxy-ethyl)-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 4-(2-benzyloxy-2-oxo-ethyl)-1-[(4-cyanophenyl)methylamino]-2-(thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylate CAS Name: 1-[(4-cyanophenyl)methylamino]-4-(2-oxo-2-phenylmethoxyethyl)-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(4-cyanophenyl)methylamino]-4-(2-oxo-2-phenylmethoxyethyl)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 4-(2-benzoxy-2-keto-ethyl)-1-[(4-cyanobenzyl)amino]-2-(thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C30H37N4O5S+ MolecularWeight: 565.70358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CC(CC1C(=O)N2CCSC2)CC(=O)OCC3=CC=CC=C3)NCC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CC(CC1C(=O)N2CCSC2)CC(=O)OCC3=CC=CC=C3)NCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C30H37N4O5S/c1-30(2,3)39-29(37)34(32-18-23-11-9-22(17-31)10-12-23)19-25(15-26(34)28(36)33-13-14-40-21-33)16-27(35)38-20-24-7-5-4-6-8-24/h4-12,25-26,32H,13-16,18-21H2,1-3H3/q+1