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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]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-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C16H13ClN2O3S2 MolecularWeight: 380.86902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3)Cl

InChI

InChI=1S/C16H13ClN2O3S2/c17-10-1-3-11(4-2-10)23-8-6-14(20)22-9-13-18-12-5-7-24-15(12)16(21)19-13/h1-5,7H,6,8-9H2,(H,18,19,21)