[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H15N3O3S2 MolecularWeight: 337.4172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)CSC1=NC=NC2=C1C=CS2

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3S2/c1-3-5-15-12(19)9(2)20-11(18)7-22-14-10-4-6-21-13(10)16-8-17-14/h3-4,6,8-9H,1,5,7H2,2H3,(H,15,19)/t9-/m1/s1