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

Systemtic Name: [(1S)-1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] (E)-3-phenylprop-2-enoate Openeye Name: [(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic 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] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [(1S)-1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC(=O)C=CC3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3S/c1-11-13(3)25-19-16(11)18(23)20-17(21-19)12(2)24-15(22)10-9-14-7-5-4-6-8-14/h4-10,12H,1-3H3,(H,20,21,23)/b10-9+/t12-/m0/s1