tert-butyl N-[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-hexyl]carbamate

Systemtic Name: tert-butyl N-[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-hexyl]carbamate Openeye Name: tert-butyl N-[1-(2-furylmethylsulfanyl)-2-oxo-hexyl]carbamate CAS Name: N-[1-(2-furanylmethylthio)-2-oxohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(furan-2-ylmethylsulfanyl)-2-oxohexyl]carbamate Traditional Name: N-[1-(2-furfurylthio)-2-keto-hexyl]carbamic acid tert-butyl ester Formula: C16H25NO4S MolecularWeight: 327.439

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(NC(=O)OC(C)(C)C)SCC1=CC=CO1

Isomeric SMILES

CCCCC(=O)C(NC(=O)OC(C)(C)C)SCC1=CC=CO1

InChI

InChI=1S/C16H25NO4S/c1-5-6-9-13(18)14(17-15(19)21-16(2,3)4)22-11-12-8-7-10-20-12/h7-8,10,14H,5-6,9,11H2,1-4H3,(H,17,19)