(phenylmethyl) 2-[4-oxidanylidene-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]propanoate

Systemtic Name: (phenylmethyl) 2-[4-oxidanylidene-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: benzyl 2-[4-oxo-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 2-[4-oxo-5-(4-propoxyphenyl)-3-thieno[2,3-d]pyrimidinyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-oxo-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 2-[4-keto-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]propionic acid benzyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)C(C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)C(C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O4S/c1-3-13-30-20-11-9-19(10-12-20)21-15-32-23-22(21)24(28)27(16-26-23)17(2)25(29)31-14-18-7-5-4-6-8-18/h4-12,15-17H,3,13-14H2,1-2H3