tert-butyl 4-[(4-cyanophenyl)methyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-cyanophenyl)methyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[(4-cyanophenyl)methyl-(2-ethoxy-2-oxo-ethyl)amino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[(4-cyanophenyl)methyl-(2-ethoxy-2-oxoethyl)amino]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-cyanophenyl)methyl-(2-ethoxy-2-oxoethyl)amino]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[(4-cyanobenzyl)-(2-ethoxy-2-keto-ethyl)amino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C25H34N4O5S MolecularWeight: 502.62626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1=CC=C(C=C1)C#N)C2CC(N(C2)C(=O)OC(C)(C)C)C(=O)N3CCSC3

Isomeric SMILES

CCOC(=O)CN(CC1=CC=C(C=C1)C#N)C2CC(N(C2)C(=O)OC(C)(C)C)C(=O)N3CCSC3

InChI

InChI=1S/C25H34N4O5S/c1-5-33-22(30)16-28(14-19-8-6-18(13-26)7-9-19)20-12-21(23(31)27-10-11-35-17-27)29(15-20)24(32)34-25(2,3)4/h6-9,20-21H,5,10-12,14-17H2,1-4H3