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

Systemtic Name: methyl (2R)-2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoate Openeye Name: methyl (2R)-2-(3-allyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoate CAS Name: (2R)-2-[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoate Traditional Name: (2R)-2-[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]propionic acid methyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CC=C

Isomeric SMILES

C[C@H](C(=O)OC)SC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CC=C

InChI

InChI=1S/C19H18N2O3S2/c1-4-10-21-17(22)15-14(13-8-6-5-7-9-13)11-25-16(15)20-19(21)26-12(2)18(23)24-3/h4-9,11-12H,1,10H2,2-3H3/t12-/m1/s1