methyl (2R)-2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanoate

Systemtic Name: methyl (2R)-2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanoate Openeye Name: methyl (2R)-2-[3-allyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanoate CAS Name: (2R)-2-[[5-(4-methylphenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylpropanoate Traditional Name: (2R)-2-[[3-allyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]propionic acid methyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SC(C)C(=O)OC)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)S[C@H](C)C(=O)OC)CC=C

InChI

InChI=1S/C20H20N2O3S2/c1-5-10-22-18(23)16-15(14-8-6-12(2)7-9-14)11-26-17(16)21-20(22)27-13(3)19(24)25-4/h5-9,11,13H,1,10H2,2-4H3/t13-/m1/s1