methyl 2-[5,6-dimethyl-4-oxidanylidene-2-(3-phenylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: methyl 2-[5,6-dimethyl-4-oxidanylidene-2-(3-phenylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: methyl 2-(2-cinnamylsulfanyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetate CAS Name: 2-[5,6-dimethyl-4-oxo-2-(3-phenylprop-2-enylthio)-3-thieno[2,3-d]pyrimidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[5,6-dimethyl-4-oxo-2-(3-phenylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[2-(cinnamylthio)-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl]acetic acid methyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S2/c1-13-14(2)27-18-17(13)19(24)22(12-16(23)25-3)20(21-18)26-11-7-10-15-8-5-4-6-9-15/h4-10H,11-12H2,1-3H3