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

Systemtic Name: tert-butyl 4-[(3-cyanophenyl)methyl-methyl-amino]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[(3-cyanophenyl)methyl-methyl-amino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[(3-cyanophenyl)methyl-methylamino]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-cyanophenyl)methyl-methylamino]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[(3-cyanobenzyl)-methyl-amino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N(C)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N(C)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H30N4O3S/c1-22(2,3)29-21(28)26-14-18(11-19(26)20(27)25-8-9-30-15-25)24(4)13-17-7-5-6-16(10-17)12-23/h5-7,10,18-19H,8-9,11,13-15H2,1-4H3