[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H15N3O3S2 MolecularWeight: 325.4065

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)CSC1=NC=NC2=C1C=CS2

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)CSC1=NC=NC2=C1C=CS2

InChI

InChI=1S/C13H15N3O3S2/c1-3-14-11(18)8(2)19-10(17)6-21-13-9-4-5-20-12(9)15-7-16-13/h4-5,7-8H,3,6H2,1-2H3,(H,14,18)/t8-/m0/s1