(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic 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 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C17H16N2O3S2/c1-10-3-4-11(2)13(7-10)24-9-15(20)22-8-14-18-12-5-6-23-16(12)17(21)19-14/h3-7H,8-9H2,1-2H3,(H,18,19,21)