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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) (2R)-2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate Openeye Name: (2-amino-2-oxo-ethyl) (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 (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) (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 (2-amino-2-keto-ethyl) ester Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S2/c1-10(18(24)25-7-13(19)22)26-9-14-20-16(23)15-12(8-27-17(15)21-14)11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H2,19,22)(H,20,21,23)/t10-/m1/s1