(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (2R)-2-phenyl-2-phenylsulfanyl-ethanoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (2R)-2-phenyl-2-phenylsulfanyl-ethanoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (2R)-2-phenyl-2-phenylsulfanyl-acetate CAS Name: (2R)-2-phenyl-2-(phenylthio)acetic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (2R)-2-phenyl-2-phenylsulfanylacetate Traditional Name: (2R)-2-phenyl-2-(phenylthio)acetic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C21H16N2O3S2 MolecularWeight: 408.49334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)SC4=CC=CC=C4

InChI

InChI=1S/C21H16N2O3S2/c24-20-19-16(11-12-27-19)22-17(23-20)13-26-21(25)18(14-7-3-1-4-8-14)28-15-9-5-2-6-10-15/h1-12,18H,13H2,(H,22,23,24)/t18-/m1/s1