tert-butyl 2-[3-[(1-methyl-1,2,3,4-tetrazol-5-yl)oxycarbothioylamino]hexanoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[3-[(1-methyl-1,2,3,4-tetrazol-5-yl)oxycarbothioylamino]hexanoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[3-[(1-methyltetrazol-5-yl)oxycarbothioylamino]hexanoyl]pyrrolidine-1-carboxylate CAS Name: 2-[3-[[(1-methyl-5-tetrazolyl)oxy-sulfanylidenemethyl]amino]-1-oxohexyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(1-methyltetrazol-5-yl)oxycarbothioylamino]hexanoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[3-[(1-methyltetrazol-5-yl)oxycarbothioylamino]hexanoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H30N6O4S MolecularWeight: 426.5336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N6O4S/c1-6-8-12(19-16(29)27-15-20-21-22-23(15)5)11-14(25)13-9-7-10-24(13)17(26)28-18(2,3)4/h12-13H,6-11H2,1-5H3,(H,19,29)