methyl 3-[(E)-N-(methoxycarbonylamino)-C-(oxan-2-ylmethyl)carbonimidoyl]sulfanylpropanoate

Systemtic Name: methyl 3-[(E)-N-(methoxycarbonylamino)-C-(oxan-2-ylmethyl)carbonimidoyl]sulfanylpropanoate Openeye Name: methyl 3-[(E)-N-(methoxycarbonylamino)-C-(tetrahydropyran-2-ylmethyl)carbonimidoyl]sulfanylpropanoate CAS Name: 3-[[(1E)-1-(methoxycarbonylhydrazinylidene)-2-(2-oxanyl)ethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(E)-N-(methoxycarbonylamino)-C-(oxan-2-ylmethyl)carbonimidoyl]sulfanylpropanoate Traditional Name: 3-[[(E)-N-(carbomethoxyamino)-C-(tetrahydropyran-2-ylmethyl)carbonimidoyl]thio]propionic acid methyl ester Formula: C13H22N2O5S MolecularWeight: 318.38918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(=NNC(=O)OC)CC1CCCCO1

Isomeric SMILES

COC(=O)CCS/C(=N/NC(=O)OC)/CC1CCCCO1

InChI

InChI=1S/C13H22N2O5S/c1-18-12(16)6-8-21-11(14-15-13(17)19-2)9-10-5-3-4-7-20-10/h10H,3-9H2,1-2H3,(H,15,17)/b14-11+