[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)CSC1=NC=NC2=C1C=CS2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)CSC1=NC=NC2=C1C=CS2)C3=CC=CC=C3

InChI

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