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

Systemtic Name: tert-butyl 2-[3-[(1-methyl-1,2,3,4-tetrazol-5-yl)oxycarbothioylamino]pentanoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[3-[(1-methyltetrazol-5-yl)oxycarbothioylamino]pentanoyl]pyrrolidine-1-carboxylate CAS Name: 2-[3-[[(1-methyl-5-tetrazolyl)oxy-sulfanylidenemethyl]amino]-1-oxopentyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(1-methyltetrazol-5-yl)oxycarbothioylamino]pentanoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[3-[(1-methyltetrazol-5-yl)oxycarbothioylamino]pentanoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H28N6O4S MolecularWeight: 412.50702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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