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

Systemtic Name: (phenylmethyl) 2-[5-(4-methoxyphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: benzyl 2-[5-(4-methoxyphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 2-[5-(4-methoxyphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 2-[4-keto-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]propionic acid benzyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)N2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)N2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H20N2O4S/c1-15(23(27)29-12-16-6-4-3-5-7-16)25-14-24-21-20(22(25)26)19(13-30-21)17-8-10-18(28-2)11-9-17/h3-11,13-15H,12H2,1-2H3