methyl 4-(oxan-2-ylmethylcarbamothioylsulfanyl)butanoate

Systemtic Name: methyl 4-(oxan-2-ylmethylcarbamothioylsulfanyl)butanoate Openeye Name: methyl 4-(tetrahydropyran-2-ylmethylcarbamothioylsulfanyl)butanoate CAS Name: 4-[[(2-oxanylmethylamino)-sulfanylidenemethyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-(oxan-2-ylmethylcarbamothioylsulfanyl)butanoate Traditional Name: 4-(tetrahydropyran-2-ylmethylthiocarbamoylthio)butyric acid methyl ester Formula: C12H21NO3S2 MolecularWeight: 291.43004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC(=S)NCC1CCCCO1

Isomeric SMILES

COC(=O)CCCSC(=S)NCC1CCCCO1

InChI

InChI=1S/C12H21NO3S2/c1-15-11(14)6-4-8-18-12(17)13-9-10-5-2-3-7-16-10/h10H,2-9H2,1H3,(H,13,17)