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

Systemtic Name: tert-butyl N-[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptyl]carbamate Openeye Name: tert-butyl N-[1-(2-furylmethylsulfanyl)-2-oxo-heptyl]carbamate CAS Name: N-[1-(2-furanylmethylthio)-2-oxoheptyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(furan-2-ylmethylsulfanyl)-2-oxoheptyl]carbamate Traditional Name: N-[1-(2-furfurylthio)-2-keto-heptyl]carbamic acid tert-butyl ester Formula: C17H27NO4S MolecularWeight: 341.46558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO4S/c1-5-6-7-10-14(19)15(18-16(20)22-17(2,3)4)23-12-13-9-8-11-21-13/h8-9,11,15H,5-7,10,12H2,1-4H3,(H,18,20)