(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-phenylsulfanylpropanoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-phenylsulfanylpropanoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C16H14N2O3S2 MolecularWeight: 346.42396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C16H14N2O3S2/c19-14(7-9-22-11-4-2-1-3-5-11)21-10-13-17-12-6-8-23-15(12)16(20)18-13/h1-6,8H,7,9-10H2,(H,17,18,20)