methyl 3-(5-methyl-4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoate

Systemtic Name: methyl 3-(5-methyl-4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoate Openeye Name: methyl 3-(3-allyl-5-methyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoate CAS Name: 3-[(5-methyl-4-oxo-6-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(5-methyl-4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoate Traditional Name: 3-[(3-allyl-4-keto-5-methyl-6-phenyl-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=C(SC2=C1C(=O)N(C(=N2)SCCC(=O)OC)CC=C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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