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

Systemtic Name: (2S)-2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate Openeye Name: (2S)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate CAS Name: (2S)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]propanoate IUPAC Name: (2S)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate Traditional Name: (2S)-2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]propionate Formula: C16H13N2O3S2- MolecularWeight: 345.41602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O3S2/c1-9(16(20)21)22-8-12-17-14(19)13-11(7-23-15(13)18-12)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,20,21)(H,17,18,19)/p-1/t9-/m0/s1