tert-butyl 4-[(5-cyanopyridin-2-yl)-(phenylmethyl)amino]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(5-cyanopyridin-2-yl)-(phenylmethyl)amino]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[benzyl-(5-cyano-2-pyridyl)amino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[(5-cyano-2-pyridinyl)-(phenylmethyl)amino]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[benzyl-(5-cyanopyridin-2-yl)amino]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[benzyl-(5-cyano-2-pyridyl)amino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C26H31N5O3S MolecularWeight: 493.62104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N(CC3=CC=CC=C3)C4=NC=C(C=C4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N(CC3=CC=CC=C3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C26H31N5O3S/c1-26(2,3)34-25(33)31-17-21(13-22(31)24(32)29-11-12-35-18-29)30(16-19-7-5-4-6-8-19)23-10-9-20(14-27)15-28-23/h4-10,15,21-22H,11-13,16-18H2,1-3H3