(4-methylsulfanylphenyl)methyl 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propionic acid [4-(methylthio)benzyl] ester Formula: C17H16N2O3S2 MolecularWeight: 360.45054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)CCN2C=NC3=C(C2=O)C=CS3

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)CCN2C=NC3=C(C2=O)C=CS3

InChI

InChI=1S/C17H16N2O3S2/c1-23-13-4-2-12(3-5-13)10-22-15(20)6-8-19-11-18-16-14(17(19)21)7-9-24-16/h2-5,7,9,11H,6,8,10H2,1H3