(5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-phenylsulfanylpropanoate

Systemtic Name: (5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-phenylsulfanylpropanoate Openeye Name: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid (5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methyl ester IUPAC Name: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid (5-ketothiazolo[3,2-a]pyrimidin-7-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=CC(=O)N3C=CSC3=N2

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)OCC2=CC(=O)N3C=CSC3=N2

InChI

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