[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylethyl]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-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S2/c1-12(13-5-3-2-4-6-13)21-15(22)9-24-16(23)10-26-18-14-7-8-25-17(14)19-11-20-18/h2-8,11-12H,9-10H2,1H3,(H,21,22)/t12-/m1/s1