ethyl 5-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-allyl-2-benzylsulfanyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-(phenylmethylthio)-3-prop-2-enyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-5-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-allyl-2-(benzylthio)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC=C)SCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC=C)SCC3=CC=CC=C3)C

InChI

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