1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: 1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 2-(2-methylphenyl)sulfanylethanoate Openeye Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester IUPAC Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid 1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OC(C)C2=NC3=C(C(=C(S3)C)C)C(=O)N2

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OC(C)C2=NC3=C(C(=C(S3)C)C)C(=O)N2

InChI

InChI=1S/C19H20N2O3S2/c1-10-7-5-6-8-14(10)25-9-15(22)24-12(3)17-20-18(23)16-11(2)13(4)26-19(16)21-17/h5-8,12H,9H2,1-4H3,(H,20,21,23)