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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic 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 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C17H15ClN2O3S2 MolecularWeight: 394.8956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3)Cl

InChI

InChI=1S/C17H15ClN2O3S2/c18-11-3-5-12(6-4-11)24-8-1-2-15(21)23-10-14-19-13-7-9-25-16(13)17(22)20-14/h3-7,9H,1-2,8,10H2,(H,19,20,22)