tert-butyl 2-[2-[propan-2-yl(pyridin-2-yloxycarbothioyl)amino]ethanoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[2-[propan-2-yl(pyridin-2-yloxycarbothioyl)amino]ethanoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[2-[isopropyl(2-pyridyloxycarbothioyl)amino]acetyl]pyrrolidine-1-carboxylate CAS Name: 2-[1-oxo-2-[propan-2-yl-[2-pyridinyloxy(sulfanylidene)methyl]amino]ethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[propan-2-yl(pyridin-2-yloxycarbothioyl)amino]acetyl]pyrrolidine-1-carboxylate Traditional Name: 2-[2-[isopropyl(2-pyridyloxycarbothioyl)amino]acetyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(=O)C1CCCN1C(=O)OC(C)(C)C)C(=S)OC2=CC=CC=N2

Isomeric SMILES

CC(C)N(CC(=O)C1CCCN1C(=O)OC(C)(C)C)C(=S)OC2=CC=CC=N2

InChI

InChI=1S/C20H29N3O4S/c1-14(2)23(19(28)26-17-10-6-7-11-21-17)13-16(24)15-9-8-12-22(15)18(25)27-20(3,4)5/h6-7,10-11,14-15H,8-9,12-13H2,1-5H3