3-(2-methylsulfanyl-4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)propanoic acid

Systemtic Name: 3-(2-methylsulfanyl-4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)propanoic acid Openeye Name: 3-(2-methylsulfanyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)propanoic acid CAS Name: 3-[2-(methylthio)-4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-(2-methylsulfanyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoic acid Traditional Name: 3-[4-keto-2-(methylthio)-6-phenyl-thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C16H14N2O3S2 MolecularWeight: 346.42396

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1CCC(=O)O

Isomeric SMILES

CSC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1CCC(=O)O

InChI

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