tert-butyl N-[2-oxidanylidene-1-(thiophen-3-ylmethylsulfanyl)heptyl]carbamate

Systemtic Name: tert-butyl N-[2-oxidanylidene-1-(thiophen-3-ylmethylsulfanyl)heptyl]carbamate Openeye Name: tert-butyl N-[2-oxo-1-(3-thienylmethylsulfanyl)heptyl]carbamate CAS Name: N-[2-oxo-1-(3-thiophenylmethylthio)heptyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-oxo-1-(thiophen-3-ylmethylsulfanyl)heptyl]carbamate Traditional Name: N-[2-keto-1-(3-thenylthio)heptyl]carbamic acid tert-butyl ester Formula: C17H27NO3S2 MolecularWeight: 357.53118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(NC(=O)OC(C)(C)C)SCC1=CSC=C1

Isomeric SMILES

CCCCCC(=O)C(NC(=O)OC(C)(C)C)SCC1=CSC=C1

InChI

InChI=1S/C17H27NO3S2/c1-5-6-7-8-14(19)15(18-16(20)21-17(2,3)4)23-12-13-9-10-22-11-13/h9-11,15H,5-8,12H2,1-4H3,(H,18,20)