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

Systemtic Name: [(1S)-1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 4-methylsulfanylbenzoate Openeye Name: [(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] ester IUPAC Name: [(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [(1S)-1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC(=O)C3=CC=C(C=C3)SC)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)[C@H](C)OC(=O)C3=CC=C(C=C3)SC)C

InChI

InChI=1S/C18H18N2O3S2/c1-9-11(3)25-17-14(9)16(21)19-15(20-17)10(2)23-18(22)12-5-7-13(24-4)8-6-12/h5-8,10H,1-4H3,(H,19,20,21)/t10-/m0/s1