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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CCC(=O)[O-]

Isomeric SMILES

CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CCC(=O)[O-]

InChI

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