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

Systemtic Name: tert-butyl 2-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)oxycarbothioyl-propan-2-yl-amino]ethanoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[2-[isopropyl-(1-methyltetrazol-5-yl)oxycarbothioyl-amino]acetyl]pyrrolidine-1-carboxylate CAS Name: 2-[2-[[(1-methyl-5-tetrazolyl)oxy-sulfanylidenemethyl]-propan-2-ylamino]-1-oxoethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[(1-methyltetrazol-5-yl)oxycarbothioyl-propan-2-ylamino]acetyl]pyrrolidine-1-carboxylate Traditional Name: 2-[2-[isopropyl-(1-methyltetrazol-5-yl)oxycarbothioyl-amino]acetyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H28N6O4S MolecularWeight: 412.50702

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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=NN2C

Isomeric SMILES

CC(C)N(CC(=O)C1CCCN1C(=O)OC(C)(C)C)C(=S)OC2=NN=NN2C

InChI

InChI=1S/C17H28N6O4S/c1-11(2)23(16(28)26-14-18-19-20-21(14)6)10-13(24)12-8-7-9-22(12)15(25)27-17(3,4)5/h11-12H,7-10H2,1-6H3