tert-butyl 2-[cyclopentyl-(2-methyl-3-thiocyanato-propanoyl)amino]ethanoate

Systemtic Name: tert-butyl 2-[cyclopentyl-(2-methyl-3-thiocyanato-propanoyl)amino]ethanoate Openeye Name: tert-butyl 2-[cyclopentyl-(2-methyl-3-thiocyanato-propanoyl)amino]acetate CAS Name: 2-[cyclopentyl-(2-methyl-1-oxo-3-thiocyanatopropyl)amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[cyclopentyl-(2-methyl-3-thiocyanatopropanoyl)amino]acetate Traditional Name: 2-[cyclopentyl-(2-methyl-3-thiocyanato-propanoyl)amino]acetic acid tert-butyl ester Formula: C16H26N2O3S MolecularWeight: 326.45424

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC#N)C(=O)N(CC(=O)OC(C)(C)C)C1CCCC1

Isomeric SMILES

CC(CSC#N)C(=O)N(CC(=O)OC(C)(C)C)C1CCCC1

InChI

InChI=1S/C16H26N2O3S/c1-12(10-22-11-17)15(20)18(13-7-5-6-8-13)9-14(19)21-16(2,3)4/h12-13H,5-10H2,1-4H3