cyanomethyl (2R)-2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate

Systemtic Name: cyanomethyl (2R)-2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate Openeye Name: cyanomethyl (2R)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate CAS Name: (2R)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2R)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate Traditional Name: (2R)-2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]propionic acid cyanomethyl ester Formula: C18H15N3O3S2 MolecularWeight: 385.46

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC#N)SCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

C[C@H](C(=O)OCC#N)SCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C18H15N3O3S2/c1-11(18(23)24-8-7-19)25-10-14-20-16(22)15-13(9-26-17(15)21-14)12-5-3-2-4-6-12/h2-6,9,11H,8,10H2,1H3,(H,20,21,22)/t11-/m1/s1