tert-butyl 2-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxycarbothioyl-propan-2-yl-amino]ethanoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxycarbothioyl-propan-2-yl-amino]ethanoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[2-[isopropyl-(1-phenyltetrazol-5-yl)oxycarbothioyl-amino]acetyl]pyrrolidine-1-carboxylate CAS Name: 2-[1-oxo-2-[[(1-phenyl-5-tetrazolyl)oxy-sulfanylidenemethyl]-propan-2-ylamino]ethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[(1-phenyltetrazol-5-yl)oxycarbothioyl-propan-2-ylamino]acetyl]pyrrolidine-1-carboxylate Traditional Name: 2-[2-[isopropyl-(1-phenyltetrazol-5-yl)oxycarbothioyl-amino]acetyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H30N6O4S MolecularWeight: 474.5764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(=O)C1CCCN1C(=O)OC(C)(C)C)C(=S)OC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC(C)N(CC(=O)C1CCCN1C(=O)OC(C)(C)C)C(=S)OC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C22H30N6O4S/c1-15(2)27(14-18(29)17-12-9-13-26(17)20(30)32-22(3,4)5)21(33)31-19-23-24-25-28(19)16-10-7-6-8-11-16/h6-8,10-11,15,17H,9,12-14H2,1-5H3