(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxy-3-methoxyphenyl)-2-propenoic acid (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)acrylic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)OC

InChI

InChI=1S/C25H22N2O5S/c1-3-31-19-11-9-16(13-20(19)30-2)10-12-22(28)32-14-21-26-24(29)23-18(15-33-25(23)27-21)17-7-5-4-6-8-17/h4-13,15H,3,14H2,1-2H3,(H,26,27,29)/b12-10+