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

Systemtic Name: [(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(phenethylamino)ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(phenethylamino)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-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CC=C1)OC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C19H19N3O3S2/c1-13(17(24)20-9-7-14-5-3-2-4-6-14)25-16(23)11-27-19-15-8-10-26-18(15)21-12-22-19/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,20,24)/t13-/m1/s1