ethyl 5-methyl-4-oxidanylidene-3-phenyl-2-prop-2-enylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-3-phenyl-2-prop-2-enylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-allylsulfanyl-5-methyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-phenyl-2-(prop-2-enylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-3-phenyl-2-prop-2-enylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(allylthio)-4-keto-5-methyl-3-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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